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

C16H19ClFN — CID 15945582

IUPAC2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2ccccc2F)cc1.Cl
InChIInChI=1S/C16H18FN.ClH/c1-13-6-8-14(9-7-13)12-18-11-10-15-4-2-3-5-16(15)17;/h2-9,18H,10-12H2,1H3;1H
InChIKeyYIRAVWANAVENSJ-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.89
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride (PubChem CID 15945582) has the molecular formula C16H19ClFN and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
PubChem CID15945582
Molecular FormulaC16H19ClFN
Molecular Weight279.79 g/mol
Exact Mass279.12
IUPAC Name2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2ccccc2F)cc1.Cl
InChIInChI=1S/C16H18FN.ClH/c1-13-6-8-14(9-7-13)12-18-11-10-15-4-2-3-5-16(15)17;/h2-9,18H,10-12H2,1H3;1H
InChIKeyYIRAVWANAVENSJ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.89
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 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride (CID 15945582) is 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride is Cc1ccc(CNCCc2ccccc2F)cc1.Cl.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is YIRAVWANAVENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN.ClH/c1-13-6-8-14(9-7-13)12-18-11-10-15-4-2-3-5-16(15)17;/h2-9,18H,10-12H2,1H3;1H.
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
2-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 279.79 g/mol, XLogP of 3.89, 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-[(4-methylphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 15945582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).