4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide

C104H132Cl5N11O9 — CID 157398930

IUPAC4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
SMILESCCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCCCC2)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl.Cc1cc(NCc2c(C)cccc2OCCN(C)C)ccc1Cl
InChIInChI=1S/C22H28ClN3O2.C22H27ClN2O2.C22H29ClN2O2.C19H23ClN2O2.C19H25ClN2O/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-16-7-6-8-20(27-14-13-25-11-4-3-5-12-25)21(16)22(26)24-18-9-10-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-13-6-5-7-17(24-11-10-22(3)4)18(13)19(23)21-15-8-9-16(20)14(2)12-15;1-14-6-5-7-19(23-11-10-22(3)4)17(14)13-21-16-8-9-18(20)15(2)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);6-10,15H,3-5,11-14H2,1-2H3,(H,24,26);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);5-9,12H,10-11H2,1-4H3,(H,21,23);5-9,12,21H,10-11,13H2,1-4H3
InChIKeyBMXIIRNHZKDHFI-UHFFFAOYSA-N
MW1857.53 g/mol
LogP22.89
Rot. Bonds34

About 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide

4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 157398930) has the molecular formula C104H132Cl5N11O9 and a molecular weight of 1857.53 g/mol. Its IUPAC name is 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
PubChem CID157398930
Molecular FormulaC104H132Cl5N11O9
Molecular Weight1857.53 g/mol
Exact Mass1853.87
IUPAC Name4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
SMILESCCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCCCC2)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl.Cc1cc(NCc2c(C)cccc2OCCN(C)C)ccc1Cl
InChIInChI=1S/C22H28ClN3O2.C22H27ClN2O2.C22H29ClN2O2.C19H23ClN2O2.C19H25ClN2O/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-16-7-6-8-20(27-14-13-25-11-4-3-5-12-25)21(16)22(26)24-18-9-10-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-13-6-5-7-17(24-11-10-22(3)4)18(13)19(23)21-15-8-9-16(20)14(2)12-15;1-14-6-5-7-19(23-11-10-22(3)4)17(14)13-21-16-8-9-18(20)15(2)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);6-10,15H,3-5,11-14H2,1-2H3,(H,24,26);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);5-9,12H,10-11H2,1-4H3,(H,21,23);5-9,12,21H,10-11,13H2,1-4H3
InChIKeyBMXIIRNHZKDHFI-UHFFFAOYSA-N
XLogP22.89
TPSA194.02 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001857.53
LogP ≤ 522.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 158301434
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 157101806
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-5-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
CID 161240938
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
CID 129087164
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
CID 3056944
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide (CID 157398930) is 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide is CCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCCCC2)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl.Cc1cc(NCc2c(C)cccc2OCCN(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is BMXIIRNHZKDHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2.C22H27ClN2O2.C22H29ClN2O2.C19H23ClN2O2.C19H25ClN2O/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-16-7-6-8-20(27-14-13-25-11-4-3-5-12-25)21(16)22(26)24-18-9-10-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-13-6-5-7-17(24-11-10-22(3)4)18(13)19(23)21-15-8-9-16(20)14(2)12-15;1-14-6-5-7-19(23-11-10-22(3)4)17(14)13-21-16-8-9-18(20)15(2)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);6-10,15H,3-5,11-14H2,1-2H3,(H,24,26);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);5-9,12H,10-11H2,1-4H3,(H,21,23);5-9,12,21H,10-11,13H2,1-4H3.
What are the key properties of 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide?
4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 1857.53 g/mol, XLogP of 22.89, 34 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 157398930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).