N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine

C18H28ClN — CID 63416041

IUPACN-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCC(C)CC1
InChIInChI=1S/C18H28ClN/c1-3-11-20-18(16-9-7-14(2)8-10-16)13-15-5-4-6-17(19)12-15/h4-6,12,14,16,18,20H,3,7-11,13H2,1-2H3
InChIKeyJZVQPEGZVCOSFI-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 63416041) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID63416041
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCC(C)CC1
InChIInChI=1S/C18H28ClN/c1-3-11-20-18(16-9-7-14(2)8-10-16)13-15-5-4-6-17(19)12-15/h4-6,12,14,16,18,20H,3,7-11,13H2,1-2H3
InChIKeyJZVQPEGZVCOSFI-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine (CID 63416041) is N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1CCC(C)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is JZVQPEGZVCOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-3-11-20-18(16-9-7-14(2)8-10-16)13-15-5-4-6-17(19)12-15/h4-6,12,14,16,18,20H,3,7-11,13H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 63416041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).