1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine

C18H27N — CID 116661927

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1ccccc1C
InChIInChI=1S/C18H27N/c1-3-19-18(13-16-10-5-4-6-11-16)14-17-12-8-7-9-15(17)2/h7-10,12,18-19H,3-6,11,13-14H2,1-2H3
InChIKeyKMPMMKXPOZFKJV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 116661927) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
PubChem CID116661927
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1ccccc1C
InChIInChI=1S/C18H27N/c1-3-19-18(13-16-10-5-4-6-11-16)14-17-12-8-7-9-15(17)2/h7-10,12,18-19H,3-6,11,13-14H2,1-2H3
InChIKeyKMPMMKXPOZFKJV-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-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

1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
CID 116661749
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (CID 116661927) is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine is CCNC(CC1=CCCCC1)Cc1ccccc1C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is KMPMMKXPOZFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-19-18(13-16-10-5-4-6-11-16)14-17-12-8-7-9-15(17)2/h7-10,12,18-19H,3-6,11,13-14H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 116661927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).