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

C18H22ClN — CID 81324084

IUPACN-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-9-13(3)10-16(19)11-15)17-7-6-12(2)8-14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyRNMVINLNGHLFOH-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.96
Rot. Bonds4

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

N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 81324084) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID81324084
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-9-13(3)10-16(19)11-15)17-7-6-12(2)8-14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyRNMVINLNGHLFOH-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 81324084) is N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is RNMVINLNGHLFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-20-18(15-9-13(3)10-16(19)11-15)17-7-6-12(2)8-14(17)4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.96, 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-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81324084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).