N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine

C18H29N — CID 43496590

IUPACN-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-14-19-18(16-8-6-5-7-9-16)17-12-10-15(4-2)11-13-17/h10-13,16,18-19H,3-9,14H2,1-2H3
InChIKeyBAMYJJFHTMMSTK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.87
Rot. Bonds6

About N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine

N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine (PubChem CID 43496590) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
PubChem CID43496590
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-14-19-18(16-8-6-5-7-9-16)17-12-10-15(4-2)11-13-17/h10-13,16,18-19H,3-9,14H2,1-2H3
InChIKeyBAMYJJFHTMMSTK-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclohexyl-(4-ethylphenyl)methyl]propan-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-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine (CID 43496590) is N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine?
The InChIKey is BAMYJJFHTMMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-14-19-18(16-8-6-5-7-9-16)17-12-10-15(4-2)11-13-17/h10-13,16,18-19H,3-9,14H2,1-2H3.
What are the key properties of N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine?
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).