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

C12H15ClFN — CID 112652653

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(4-1-5-10(12)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyNASKIWWNPFPRPN-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.15
Rot. Bonds2

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

2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 112652653) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
PubChem CID112652653
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(4-1-5-10(12)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyNASKIWWNPFPRPN-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
6-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115983185
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine (CID 112652653) is 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine is NC1CCCC1Cc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is NASKIWWNPFPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-12-9(4-1-5-10(12)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine?
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 112652653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).