N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine

C13H17ClFN — CID 114749969

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN/c1-9-3-2-4-13(9)16-8-10-5-6-11(14)7-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyJNHSKEJJUISHEH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.76
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine

N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 114749969) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID114749969
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN/c1-9-3-2-4-13(9)16-8-10-5-6-11(14)7-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyJNHSKEJJUISHEH-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

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Related Compounds

2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
4-fluoro-3-[[(2-methylcyclohexyl)amino]methyl]benzonitrile
CID 43179956
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine (CID 114749969) is N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is JNHSKEJJUISHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-3-2-4-13(9)16-8-10-5-6-11(14)7-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-2-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-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 114749969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).