3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

C13H17ClFN — CID 103041633

IUPAC3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/c1-16-11-4-2-9(7-11)6-10-3-5-13(15)12(14)8-10/h3,5,8-9,11,16H,2,4,6-7H2,1H3
InChIKeyNBQUGHAFCFNDFF-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds3

About 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 103041633) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID103041633
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/c1-16-11-4-2-9(7-11)6-10-3-5-13(15)12(14)8-10/h3,5,8-9,11,16H,2,4,6-7H2,1H3
InChIKeyNBQUGHAFCFNDFF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103037922
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
CID 107888265
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
2-chloro-4-[[4-(methylamino)cyclohexyl]methyl]benzonitrile
CID 163995669
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 103041633) is 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is CNC1CCC(Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is NBQUGHAFCFNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-16-11-4-2-9(7-11)6-10-3-5-13(15)12(14)8-10/h3,5,8-9,11,16H,2,4,6-7H2,1H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 103041633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).