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

C15H16Cl2FN — CID 11948798

IUPACN-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClFN.ClH/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12;/h1-8,18H,9-11H2;1H
InChIKeyLKRSDGRTCDYOOA-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.23
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 11948798) has the molecular formula C15H16Cl2FN and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
PubChem CID11948798
Molecular FormulaC15H16Cl2FN
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClFN.ClH/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12;/h1-8,18H,9-11H2;1H
InChIKeyLKRSDGRTCDYOOA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (CID 11948798) is N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is Cl.Fc1ccc(CCNCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is LKRSDGRTCDYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN.ClH/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12;/h1-8,18H,9-11H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
N-[(2-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-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 11948798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).