[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine

C13H17ClFN — CID 81010671

IUPAC[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN/c14-13-7-12(15)5-4-10(13)6-9-2-1-3-11(9)8-16/h4-5,7,9,11H,1-3,6,8,16H2
InChIKeyRKMISLYLNMXPKF-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.40
Rot. Bonds3

About [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine

[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine (PubChem CID 81010671) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
PubChem CID81010671
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN/c14-13-7-12(15)5-4-10(13)6-9-2-1-3-11(9)8-16/h4-5,7,9,11H,1-3,6,8,16H2
InChIKeyRKMISLYLNMXPKF-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine (CID 81010671) is [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine is NCC1CCCC1Cc1ccc(F)cc1Cl.
What is the InChIKey of [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine?
The InChIKey is RKMISLYLNMXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-13-7-12(15)5-4-10(13)6-9-2-1-3-11(9)8-16/h4-5,7,9,11H,1-3,6,8,16H2.
What are the key properties of [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine?
[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine has a molecular weight of 241.74 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 81010671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).