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

C15H16ClF2N — CID 17294165

IUPAC2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccccc1CCNCc1ccccc1F
InChIInChI=1S/C15H15F2N.ClH/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17;/h1-8,18H,9-11H2;1H
InChIKeyNQEFGWDGDJSRSH-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.72
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride (PubChem CID 17294165) has the molecular formula C15H16ClF2N and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
PubChem CID17294165
Molecular FormulaC15H16ClF2N
Molecular Weight283.75 g/mol
Exact Mass283.09
IUPAC Name2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccccc1CCNCc1ccccc1F
InChIInChI=1S/C15H15F2N.ClH/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17;/h1-8,18H,9-11H2;1H
InChIKeyNQEFGWDGDJSRSH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
2-[2-[(2-fluorophenyl)methylamino]ethyl]benzoic acid
CID 104546813
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 17331094
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 60704446
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride (CID 17294165) is 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride is Cl.Fc1ccccc1CCNCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride?
The InChIKey is NQEFGWDGDJSRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N.ClH/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17;/h1-8,18H,9-11H2;1H.
What are the key properties of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride?
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride has a molecular weight of 283.75 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17294165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).