1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine

C15H14FN — CID 142025116

IUPAC1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H14FN/c1-10-3-4-14(9-15(10)16)13-7-5-12(6-8-13)11(2)17/h3-9H,2,17H2,1H3
InChIKeyNDNRCDSFCOVCLB-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.73
Rot. Bonds2

About 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine

1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine (PubChem CID 142025116) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine
PubChem CID142025116
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H14FN/c1-10-3-4-14(9-15(10)16)13-7-5-12(6-8-13)11(2)17/h3-9H,2,17H2,1H3
InChIKeyNDNRCDSFCOVCLB-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine?
The IUPAC name of 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine (CID 142025116) is 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine?
The canonical SMILES for 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine is C=C(N)c1ccc(-c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine?
The InChIKey is NDNRCDSFCOVCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-10-3-4-14(9-15(10)16)13-7-5-12(6-8-13)11(2)17/h3-9H,2,17H2,1H3.
What are the key properties of 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine?
1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine has a molecular weight of 227.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methylphenyl)phenyl]ethenamine is sourced from PubChem (CID 142025116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).