2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

C13H17ClFN — CID 103047204

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN/c1-16-13-4-2-3-9(13)7-10-8-11(14)5-6-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyWRCJXMBXIQDYQO-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds3

About 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 103047204) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID103047204
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN/c1-16-13-4-2-3-9(13)7-10-8-11(14)5-6-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyWRCJXMBXIQDYQO-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-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
(3R,4S)-3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167854
3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648098
4-[(5-chloro-2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 103047253
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79581885
2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 105404534
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 103047204) is 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is CNC1CCCC1Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is WRCJXMBXIQDYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-16-13-4-2-3-9(13)7-10-8-11(14)5-6-12(10)15/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
2-[(5-chloro-2-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 2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 103047204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).