[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride

C14H15ClFN — CID 168665262

IUPAC[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc(F)c(-c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C14H14FN.ClH/c1-10-2-7-14(15)13(8-10)12-5-3-11(9-16)4-6-12;/h2-8H,9,16H2,1H3;1H
InChIKeyYIKVDUIUXRBMMP-UHFFFAOYSA-N
MW251.73 g/mol
LogP3.68
Rot. Bonds2

About [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride

[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride (PubChem CID 168665262) has the molecular formula C14H15ClFN and a molecular weight of 251.73 g/mol. Its IUPAC name is [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
PubChem CID168665262
Molecular FormulaC14H15ClFN
Molecular Weight251.73 g/mol
Exact Mass251.09
IUPAC Name[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc(F)c(-c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C14H14FN.ClH/c1-10-2-7-14(15)13(8-10)12-5-3-11(9-16)4-6-12;/h2-8H,9,16H2,1H3;1H
InChIKeyYIKVDUIUXRBMMP-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride (CID 168665262) is [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride is Cc1ccc(F)c(-c2ccc(CN)cc2)c1.Cl.
What is the InChIKey of [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride?
The InChIKey is YIKVDUIUXRBMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN.ClH/c1-10-2-7-14(15)13(8-10)12-5-3-11(9-16)4-6-12;/h2-8H,9,16H2,1H3;1H.
What are the key properties of [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride?
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride has a molecular weight of 251.73 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 168665262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).