[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine

C15H21F2N — CID 65391305

IUPAC[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CCCCCC1
InChIInChI=1S/C15H21F2N/c16-13-7-5-6-12(14(13)17)10-15(11-18)8-3-1-2-4-9-15/h5-7H,1-4,8-11,18H2
InChIKeyYYZBOBUAZKCHLZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds3

About [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine

[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine (PubChem CID 65391305) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
PubChem CID65391305
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CCCCCC1
InChIInChI=1S/C15H21F2N/c16-13-7-5-6-12(14(13)17)10-15(11-18)8-3-1-2-4-9-15/h5-7H,1-4,8-11,18H2
InChIKeyYYZBOBUAZKCHLZ-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine (CID 65391305) is [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine is NCC1(Cc2cccc(F)c2F)CCCCCC1.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is YYZBOBUAZKCHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-13-7-5-6-12(14(13)17)10-15(11-18)8-3-1-2-4-9-15/h5-7H,1-4,8-11,18H2.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine?
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 65391305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).