1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine

C16H24FN — CID 105373996

IUPAC1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCCCCC1
InChIInChI=1S/C16H24FN/c1-12-8-9-15(17)10-14(12)11-16(18)13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11,18H2,1H3
InChIKeyHRHUZRZCWYHYGA-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.97
Rot. Bonds3

About 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105373996) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105373996
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCCCCC1
InChIInChI=1S/C16H24FN/c1-12-8-9-15(17)10-14(12)11-16(18)13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11,18H2,1H3
InChIKeyHRHUZRZCWYHYGA-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine 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

2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
[2-(5-fluoro-2-methylphenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105377769

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105373996) is 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is HRHUZRZCWYHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-8-9-15(17)10-14(12)11-16(18)13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11,18H2,1H3.
What are the key properties of 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105373996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).