N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

C18H28ClN — CID 81032140

IUPACN-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-13(2)11-20-12-16-8-7-14(3)9-18(16)15-5-4-6-17(19)10-15/h4-6,10,13-14,16,18,20H,7-9,11-12H2,1-3H3
InChIKeyBAHFMEPIOJFSKB-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.11
Rot. Bonds5

About N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81032140) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81032140
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-13(2)11-20-12-16-8-7-14(3)9-18(16)15-5-4-6-17(19)10-15/h4-6,10,13-14,16,18,20H,7-9,11-12H2,1-3H3
InChIKeyBAHFMEPIOJFSKB-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 114229819
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012361

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81032140) is N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C)CC1c1cccc(Cl)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BAHFMEPIOJFSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-13(2)11-20-12-16-8-7-14(3)9-18(16)15-5-4-6-17(19)10-15/h4-6,10,13-14,16,18,20H,7-9,11-12H2,1-3H3.
What are the key properties of N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81032140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).