1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine

C10H11ClFN — CID 91927126

IUPAC1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine
SMILESFc1ccc(CNC2(Cl)CC2)cc1
InChIInChI=1S/C10H11ClFN/c11-10(5-6-10)13-7-8-1-3-9(12)4-2-8/h1-4,13H,5-7H2
InChIKeyZZTAHKCPZLTMKT-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.64
Rot. Bonds3

About 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine

1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 91927126) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID91927126
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine
SMILESFc1ccc(CNC2(Cl)CC2)cc1
InChIInChI=1S/C10H11ClFN/c11-10(5-6-10)13-7-8-1-3-9(12)4-2-8/h1-4,13H,5-7H2
InChIKeyZZTAHKCPZLTMKT-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine (CID 91927126) is 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine is Fc1ccc(CNC2(Cl)CC2)cc1.
What is the InChIKey of 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is ZZTAHKCPZLTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10(5-6-10)13-7-8-1-3-9(12)4-2-8/h1-4,13H,5-7H2.
What are the key properties of 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine?
1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 91927126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).