1-cycloheptyl-N-methyl-3-phenylpropan-2-amine

C17H27N — CID 114458143

IUPAC1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)CC1CCCCCC1
InChIInChI=1S/C17H27N/c1-18-17(14-16-11-7-4-8-12-16)13-15-9-5-2-3-6-10-15/h4,7-8,11-12,15,17-18H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyKZFLGXDYDKCAPK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.18
Rot. Bonds5

About 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine

1-cycloheptyl-N-methyl-3-phenylpropan-2-amine (PubChem CID 114458143) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
PubChem CID114458143
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)CC1CCCCCC1
InChIInChI=1S/C17H27N/c1-18-17(14-16-11-7-4-8-12-16)13-15-9-5-2-3-6-10-15/h4,7-8,11-12,15,17-18H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyKZFLGXDYDKCAPK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cycloheptyl-N-methyl-3-phenylpropan-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-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
CID 24793491
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine (CID 114458143) is 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine is CNC(Cc1ccccc1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine?
The InChIKey is KZFLGXDYDKCAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-18-17(14-16-11-7-4-8-12-16)13-15-9-5-2-3-6-10-15/h4,7-8,11-12,15,17-18H,2-3,5-6,9-10,13-14H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine?
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 114458143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).