N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

C19H30ClN — CID 106857704

IUPACN-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1Cl)C1CCCCC1CC
InChIInChI=1S/C19H30ClN/c1-4-12-21-19(16-9-7-6-8-15(16)5-2)17-11-10-14(3)13-18(17)20/h10-11,13,15-16,19,21H,4-9,12H2,1-3H3
InChIKeyALFIBPJKVOLMNC-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.91
Rot. Bonds6

About N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 106857704) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID106857704
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1Cl)C1CCCCC1CC
InChIInChI=1S/C19H30ClN/c1-4-12-21-19(16-9-7-6-8-15(16)5-2)17-11-10-14(3)13-18(17)20/h10-11,13,15-16,19,21H,4-9,12H2,1-3H3
InChIKeyALFIBPJKVOLMNC-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862601
N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105151322
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(2-ethylcyclohexyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63861308
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (CID 106857704) is N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1Cl)C1CCCCC1CC.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is ALFIBPJKVOLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-4-12-21-19(16-9-7-6-8-15(16)5-2)17-11-10-14(3)13-18(17)20/h10-11,13,15-16,19,21H,4-9,12H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106857704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).