N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine

C15H14ClF2N — CID 114841353

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c16-13-6-5-12(15(18)9-13)10-19-8-7-11-3-1-2-4-14(11)17/h1-6,9,19H,7-8,10H2
InChIKeyAADOMVGSFBHKPN-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 114841353) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID114841353
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c16-13-6-5-12(15(18)9-13)10-19-8-7-11-3-1-2-4-14(11)17/h1-6,9,19H,7-8,10H2
InChIKeyAADOMVGSFBHKPN-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine 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

2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 29241212
N-[(4-chloro-2-fluorophenyl)methyl]-2-iodoethanamine
CID 114859443
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-bromo-N-[(4-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 114859372
1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 114841440
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine (CID 114841353) is N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is AADOMVGSFBHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-13-6-5-12(15(18)9-13)10-19-8-7-11-3-1-2-4-14(11)17/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114841353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).