N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

C19H31N — CID 81320860

IUPACN-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCCc1ccc(C(C)NC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C19H31N/c1-6-16-7-9-17(10-8-16)15(3)20-18-11-12-19(4,5)13-14(18)2/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyPKVUDGSZCXJCBT-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.11
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81320860) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81320860
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCCc1ccc(C(C)NC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C19H31N/c1-6-16-7-9-17(10-8-16)15(3)20-18-11-12-19(4,5)13-14(18)2/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyPKVUDGSZCXJCBT-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 81360676
N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320624
2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401371
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
CID 81321021
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
N-[1-(4-ethylphenyl)ethyl]-2-methylthian-3-amine
CID 79957461
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (CID 81320860) is N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine is CCc1ccc(C(C)NC2CCC(C)(C)CC2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is PKVUDGSZCXJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-16-7-9-17(10-8-16)15(3)20-18-11-12-19(4,5)13-14(18)2/h7-10,14-15,18,20H,6,11-13H2,1-5H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81320860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).