(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

C16H17ClFN — CID 17292721

IUPAC(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCl.Fc1ccc(CNC/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16FN.ClH/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14;/h1-11,18H,12-13H2;1H/b7-4+;
InChIKeyAEIGXPLKBMXENA-KQGICBIGSA-N
MW277.77 g/mol
LogP4.05
Rot. Bonds5

About (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 17292721) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID17292721
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCl.Fc1ccc(CNC/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16FN.ClH/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14;/h1-11,18H,12-13H2;1H/b7-4+;
InChIKeyAEIGXPLKBMXENA-KQGICBIGSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (CID 17292721) is (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is Cl.Fc1ccc(CNC/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is AEIGXPLKBMXENA-KQGICBIGSA-N. The full InChI is InChI=1S/C16H16FN.ClH/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14;/h1-11,18H,12-13H2;1H/b7-4+;.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 277.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17292721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).