3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline

C17H20ClN — CID 43757448

IUPAC3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCc1ccc(NC(c2ccccc2)C(C)C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-12(2)17(14-7-5-4-6-8-14)19-15-10-9-13(3)16(18)11-15/h4-12,17,19H,1-3H3
InChIKeyZLXPIJDWJBIAJU-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.46
Rot. Bonds4

About 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline

3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline (PubChem CID 43757448) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
PubChem CID43757448
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCc1ccc(NC(c2ccccc2)C(C)C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-12(2)17(14-7-5-4-6-8-14)19-15-10-9-13(3)16(18)11-15/h4-12,17,19H,1-3H3
InChIKeyZLXPIJDWJBIAJU-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)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-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43755773
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
CID 43433051
2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
CID 77027050
2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
CID 83081256
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
3-chloro-4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]aniline
CID 7612604
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline (CID 43757448) is 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline is Cc1ccc(NC(c2ccccc2)C(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline?
The InChIKey is ZLXPIJDWJBIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12(2)17(14-7-5-4-6-8-14)19-15-10-9-13(3)16(18)11-15/h4-12,17,19H,1-3H3.
What are the key properties of 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline?
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline has a molecular weight of 273.81 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline is sourced from PubChem (CID 43757448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).