1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C19H24ClN — CID 81315749

IUPAC1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1cc(C)cc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-13(2)9-15-5-7-16(8-6-15)19(21-4)17-10-14(3)11-18(20)12-17/h5-8,10-13,19,21H,9H2,1-4H3
InChIKeyGCOJXYJDYIHUEV-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.16
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 81315749) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID81315749
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1cc(C)cc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-13(2)9-15-5-7-16(8-6-15)19(21-4)17-10-14(3)11-18(20)12-17/h5-8,10-13,19,21H,9H2,1-4H3
InChIKeyGCOJXYJDYIHUEV-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine 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

1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
1-(3-chloro-5-methylphenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81315879
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
CID 130671218
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
[1-(3-chloro-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297214
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 81315749) is 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CNC(c1ccc(CC(C)C)cc1)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is GCOJXYJDYIHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-13(2)9-15-5-7-16(8-6-15)19(21-4)17-10-14(3)11-18(20)12-17/h5-8,10-13,19,21H,9H2,1-4H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 301.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 81315749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).