N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

C15H16Cl2FN — CID 11958390

IUPACN-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFN.ClH/c16-14-3-1-2-13(10-14)11-18-9-8-12-4-6-15(17)7-5-12;/h1-7,10,18H,8-9,11H2;1H
InChIKeyDUUHBHXTHQMETK-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.23
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 11958390) has the molecular formula C15H16Cl2FN and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
PubChem CID11958390
Molecular FormulaC15H16Cl2FN
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFN.ClH/c16-14-3-1-2-13(10-14)11-18-9-8-12-4-6-15(17)7-5-12;/h1-7,10,18H,8-9,11H2;1H
InChIKeyDUUHBHXTHQMETK-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride 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-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (CID 11958390) is N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is Cl.Fc1ccc(CCNCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is DUUHBHXTHQMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN.ClH/c16-14-3-1-2-13(10-14)11-18-9-8-12-4-6-15(17)7-5-12;/h1-7,10,18H,8-9,11H2;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 300.20 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 11958390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).