2-(2-phenylcycloheptyl)propan-1-amine

C16H25N — CID 82242886

IUPAC2-(2-phenylcycloheptyl)propan-1-amine
SMILESCC(CN)C1CCCCCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(12-17)15-10-6-3-7-11-16(15)14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,17H2,1H3
InChIKeyLOSYVOSZEJEVBL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-phenylcycloheptyl)propan-1-amine

2-(2-phenylcycloheptyl)propan-1-amine (PubChem CID 82242886) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2-phenylcycloheptyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-phenylcycloheptyl)propan-1-amine
PubChem CID82242886
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2-phenylcycloheptyl)propan-1-amine
SMILESCC(CN)C1CCCCCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(12-17)15-10-6-3-7-11-16(15)14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,17H2,1H3
InChIKeyLOSYVOSZEJEVBL-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
CID 82244196
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
CID 82243482
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
[2-(1-bromo-2-methylpropyl)cyclohexyl]benzene
CID 105403875
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
1-bromo-2-phenylcycloheptane
CID 63510810
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
CID 66811554

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylcycloheptyl)propan-1-amine?
The IUPAC name of 2-(2-phenylcycloheptyl)propan-1-amine (CID 82242886) is 2-(2-phenylcycloheptyl)propan-1-amine.
What is the SMILES notation for 2-(2-phenylcycloheptyl)propan-1-amine?
The canonical SMILES for 2-(2-phenylcycloheptyl)propan-1-amine is CC(CN)C1CCCCCC1c1ccccc1.
What is the InChIKey of 2-(2-phenylcycloheptyl)propan-1-amine?
The InChIKey is LOSYVOSZEJEVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(12-17)15-10-6-3-7-11-16(15)14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,17H2,1H3.
What are the key properties of 2-(2-phenylcycloheptyl)propan-1-amine?
2-(2-phenylcycloheptyl)propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcycloheptyl)propan-1-amine is sourced from PubChem (CID 82242886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).