3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline

C17H29ClN2 — CID 63551356

IUPAC3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CCN(C)c1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C17H29ClN2/c1-13(2)9-10-20(5)17-8-6-7-16(18)15(17)12-19-11-14(3)4/h6-8,13-14,19H,9-12H2,1-5H3
InChIKeyDHLLQSSHIBVNTL-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.57
Rot. Bonds8

About 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline

3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63551356) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63551356
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CCN(C)c1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C17H29ClN2/c1-13(2)9-10-20(5)17-8-6-7-16(18)15(17)12-19-11-14(3)4/h6-8,13-14,19H,9-12H2,1-5H3
InChIKeyDHLLQSSHIBVNTL-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
CID 63059873
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
2-chloro-6-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62495818
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 63060562
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline (CID 63551356) is 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline is CC(C)CCN(C)c1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is DHLLQSSHIBVNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-13(2)9-10-20(5)17-8-6-7-16(18)15(17)12-19-11-14(3)4/h6-8,13-14,19H,9-12H2,1-5H3.
What are the key properties of 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline?
3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 296.89 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63551356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).