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

C18H22ClN — CID 64989691

IUPACN-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-7-6-8-16(19)11-15)17-10-13(3)12(2)9-14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyNMOJTKOVGIEFNE-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.96
Rot. Bonds4

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

N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 64989691) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID64989691
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-7-6-8-16(19)11-15)17-10-13(3)12(2)9-14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyNMOJTKOVGIEFNE-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-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (CID 64989691) is N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is NMOJTKOVGIEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-20-18(15-7-6-8-16(19)11-15)17-10-13(3)12(2)9-14(17)4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)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-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 64989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).