[4-(1-cycloheptylethyl)phenyl]methanamine

C16H25N — CID 115038542

IUPAC[4-(1-cycloheptylethyl)phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c1-13(15-6-4-2-3-5-7-15)16-10-8-14(12-17)9-11-16/h8-11,13,15H,2-7,12,17H2,1H3
InChIKeyGPQLGFDRKYYRLD-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds3

About [4-(1-cycloheptylethyl)phenyl]methanamine

[4-(1-cycloheptylethyl)phenyl]methanamine (PubChem CID 115038542) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is [4-(1-cycloheptylethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-cycloheptylethyl)phenyl]methanamine
PubChem CID115038542
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name[4-(1-cycloheptylethyl)phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c1-13(15-6-4-2-3-5-7-15)16-10-8-14(12-17)9-11-16/h8-11,13,15H,2-7,12,17H2,1H3
InChIKeyGPQLGFDRKYYRLD-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1-cyclopentylethyl)phenyl]ethanamine
CID 115030340
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
1-[4-(aminomethyl)phenyl]-1-cyclopentyl-N,N-dimethylmethanamine
CID 116907172
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
CID 83856209
[4-(1-cyclobutyl-2-fluoroethyl)phenyl]methanamine
CID 115025387
1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
CID 174775729
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
4-(1-cyclohexylethyl)benzenesulfonic acid
CID 172833290
1-cyclobutylethylbenzene
CID 22024745

Frequently Asked Questions

What is the IUPAC name of [4-(1-cycloheptylethyl)phenyl]methanamine?
The IUPAC name of [4-(1-cycloheptylethyl)phenyl]methanamine (CID 115038542) is [4-(1-cycloheptylethyl)phenyl]methanamine.
What is the SMILES notation for [4-(1-cycloheptylethyl)phenyl]methanamine?
The canonical SMILES for [4-(1-cycloheptylethyl)phenyl]methanamine is CC(c1ccc(CN)cc1)C1CCCCCC1.
What is the InChIKey of [4-(1-cycloheptylethyl)phenyl]methanamine?
The InChIKey is GPQLGFDRKYYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(15-6-4-2-3-5-7-15)16-10-8-14(12-17)9-11-16/h8-11,13,15H,2-7,12,17H2,1H3.
What are the key properties of [4-(1-cycloheptylethyl)phenyl]methanamine?
[4-(1-cycloheptylethyl)phenyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cycloheptylethyl)phenyl]methanamine is sourced from PubChem (CID 115038542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).