N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine

C18H28ClN — CID 81320624

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCC(C)(C)CC1C
InChIInChI=1S/C18H28ClN/c1-13-12-18(3,4)10-9-17(13)20-14(2)11-15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyAABIXBLMNOMIBV-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81320624) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81320624
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCC(C)(C)CC1C
InChIInChI=1S/C18H28ClN/c1-13-12-18(3,4)10-9-17(13)20-14(2)11-15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyAABIXBLMNOMIBV-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
[2-(4-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231866
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
5-chloro-2-fluoro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321416
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine (CID 81320624) is N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine is CC(Cc1ccc(Cl)cc1)NC1CCC(C)(C)CC1C.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is AABIXBLMNOMIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-13-12-18(3,4)10-9-17(13)20-14(2)11-15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81320624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).