3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine

C13H17ClFN — CID 103041667

IUPAC3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-8-10(3-5-13(8)16)6-9-2-4-12(15)11(14)7-9/h2,4,7-8,10,13H,3,5-6,16H2,1H3
InChIKeyVHLOCYSQYBELQR-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.39
Rot. Bonds2

About 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine

3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 103041667) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID103041667
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-8-10(3-5-13(8)16)6-9-2-4-12(15)11(14)7-9/h2,4,7-8,10,13H,3,5-6,16H2,1H3
InChIKeyVHLOCYSQYBELQR-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 82935009
2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
CID 64907534
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine (CID 103041667) is 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine is CC1C(N)CCC1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is VHLOCYSQYBELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8-10(3-5-13(8)16)6-9-2-4-12(15)11(14)7-9/h2,4,7-8,10,13H,3,5-6,16H2,1H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine?
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.39, 2 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]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 103041667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).