N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine

C17H27N — CID 63509813

IUPACN-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-4-18-17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h9-13,16-18H,4-8H2,1-3H3
InChIKeyPHMBFJVZZRYIRF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine

N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 63509813) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID63509813
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-4-18-17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h9-13,16-18H,4-8H2,1-3H3
InChIKeyPHMBFJVZZRYIRF-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-ethyl-2-(4-phenylphenyl)cyclopentan-1-amine
CID 65454761
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine (CID 63509813) is N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine is CCNC1CCCCC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is PHMBFJVZZRYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-18-17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h9-13,16-18H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine?
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 63509813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).