N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H17ClFN — CID 115652971

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c1-9-5-6-10(7-9)16-8-11-12(14)3-2-4-13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyYYBPQYXOIPJIHA-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.76
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 115652971) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID115652971
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c1-9-5-6-10(7-9)16-8-11-12(14)3-2-4-13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyYYBPQYXOIPJIHA-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine 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-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
N-[(2,6-difluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64732261
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
3-[(2-chloro-6-fluorophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115976632
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 115652971) is N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(NCc2c(F)cccc2Cl)C1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is YYBPQYXOIPJIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-5-6-10(7-9)16-8-11-12(14)3-2-4-13(11)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115652971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).