3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C16H18Cl2N2O — CID 65021658

IUPAC3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(CNc2cccc(Cl)c2N(C)C)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-20(2)16-12(17)5-4-6-14(16)19-10-11-7-8-15(21-3)13(18)9-11/h4-9,19H,10H2,1-3H3
InChIKeyHEMVLHNIQKNTPP-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.68
Rot. Bonds5

About 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 65021658) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID65021658
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(CNc2cccc(Cl)c2N(C)C)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-20(2)16-12(17)5-4-6-14(16)19-10-11-7-8-15(21-3)13(18)9-11/h4-9,19H,10H2,1-3H3
InChIKeyHEMVLHNIQKNTPP-UHFFFAOYSA-N
XLogP4.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
CID 63045727
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 133378421
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 65021658) is 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is COc1ccc(CNc2cccc(Cl)c2N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is HEMVLHNIQKNTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-20(2)16-12(17)5-4-6-14(16)19-10-11-7-8-15(21-3)13(18)9-11/h4-9,19H,10H2,1-3H3.
What are the key properties of 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 65021658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).