1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine

C16H24FNO — CID 82811219

IUPAC1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1cccc(OC)c1F
InChIInChI=1S/C16H24FNO/c1-18-11-12-7-4-3-5-8-13(12)14-9-6-10-15(19-2)16(14)17/h6,9-10,12-13,18H,3-5,7-8,11H2,1-2H3
InChIKeyKNKVTCDDXGQROA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.72
Rot. Bonds4

About 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine

1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 82811219) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
PubChem CID82811219
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1cccc(OC)c1F
InChIInChI=1S/C16H24FNO/c1-18-11-12-7-4-3-5-8-13(12)14-9-6-10-15(19-2)16(14)17/h6,9-10,12-13,18H,3-5,7-8,11H2,1-2H3
InChIKeyKNKVTCDDXGQROA-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine 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

N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
CID 82791684
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 82791683
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82811854
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
CID 81034120
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81027950
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine (CID 82811219) is 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1cccc(OC)c1F.
What is the InChIKey of 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is KNKVTCDDXGQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18-11-12-7-4-3-5-8-13(12)14-9-6-10-15(19-2)16(14)17/h6,9-10,12-13,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 82811219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).