N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine

C19H24ClN — CID 104990354

IUPACN-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24ClN/c1-6-21-19(16-7-12(2)8-17(20)11-16)18-10-14(4)13(3)9-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyQEZIVVZLCLZDTP-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.27
Rot. Bonds4

About N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 104990354) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID104990354
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24ClN/c1-6-21-19(16-7-12(2)8-17(20)11-16)18-10-14(4)13(3)9-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyQEZIVVZLCLZDTP-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine 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

N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81316265
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(2,4-difluoro-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79725395
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (CID 104990354) is N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is QEZIVVZLCLZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-6-21-19(16-7-12(2)8-17(20)11-16)18-10-14(4)13(3)9-15(18)5/h7-11,19,21H,6H2,1-5H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 104990354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).