N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

C19H30ClN — CID 115862665

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

About N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine

N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 115862665) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID115862665
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(C)c1)C1CCCCC1CC
InChIInChI=1S/C19H30ClN/c1-4-12-21-19(16-10-11-18(20)14(3)13-16)17-9-7-6-8-15(17)5-2/h10-11,13,15,17,19,21H,4-9,12H2,1-3H3
InChIKeyKFYFJSOXFZRLRY-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-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105151322
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862853
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine (CID 115862665) is N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(C)c1)C1CCCCC1CC.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is KFYFJSOXFZRLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-4-12-21-19(16-10-11-18(20)14(3)13-16)17-9-7-6-8-15(17)5-2/h10-11,13,15,17,19,21H,4-9,12H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
N-[(4-chloro-3-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-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 115862665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).