[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine

C15H21ClFN — CID 114861566

IUPAC[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C15H21ClFN/c16-13-6-5-12(14(17)9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyPTBKGMDJESCJDJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.32
Rot. Bonds3

About [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine

[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine (PubChem CID 114861566) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
PubChem CID114861566
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C15H21ClFN/c16-13-6-5-12(14(17)9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyPTBKGMDJESCJDJ-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(4-chloro-2-fluorophenyl)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

Related Compounds

4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
CID 115245810
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine (CID 114861566) is [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine is NCC1(Cc2ccc(Cl)cc2F)CCCCCC1.
What is the InChIKey of [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is PTBKGMDJESCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c16-13-6-5-12(14(17)9-13)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2.
What are the key properties of [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine?
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 114861566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).