N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine

C12H13ClFN — CID 115696357

IUPACN-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
SMILESFc1c(Cl)cccc1CNC1CC=CC1
InChIInChI=1S/C12H13ClFN/c13-11-7-3-4-9(12(11)14)8-15-10-5-1-2-6-10/h1-4,7,10,15H,5-6,8H2
InChIKeyMPRKZIPTLYQNSG-UHFFFAOYSA-N
MW225.69 g/mol
LogP3.29
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine

N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696357) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
PubChem CID115696357
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
SMILESFc1c(Cl)cccc1CNC1CC=CC1
InChIInChI=1S/C12H13ClFN/c13-11-7-3-4-9(12(11)14)8-15-10-5-1-2-6-10/h1-4,7,10,15H,5-6,8H2
InChIKeyMPRKZIPTLYQNSG-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
N-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86779123
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103761966

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine (CID 115696357) is N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine is Fc1c(Cl)cccc1CNC1CC=CC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The InChIKey is MPRKZIPTLYQNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN/c13-11-7-3-4-9(12(11)14)8-15-10-5-1-2-6-10/h1-4,7,10,15H,5-6,8H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine?
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine has a molecular weight of 225.69 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).