1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine

C16H18FN — CID 106882206

IUPAC1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
SMILESCc1cc(C)c(-c2ccc(C(C)N)cc2)c(F)c1
InChIInChI=1S/C16H18FN/c1-10-8-11(2)16(15(17)9-10)14-6-4-13(5-7-14)12(3)18/h4-9,12H,18H2,1-3H3
InChIKeyYGTMEQHSOMFTNG-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.13
Rot. Bonds2

About 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine

1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine (PubChem CID 106882206) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
PubChem CID106882206
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
SMILESCc1cc(C)c(-c2ccc(C(C)N)cc2)c(F)c1
InChIInChI=1S/C16H18FN/c1-10-8-11(2)16(15(17)9-10)14-6-4-13(5-7-14)12(3)18/h4-9,12H,18H2,1-3H3
InChIKeyYGTMEQHSOMFTNG-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
CID 61034522
1-[4-(2,4-dimethylphenyl)phenyl]ethanamine
CID 61033767
4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882157
1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106882319
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
CID 82822411
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine (CID 106882206) is 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine is Cc1cc(C)c(-c2ccc(C(C)N)cc2)c(F)c1.
What is the InChIKey of 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine?
The InChIKey is YGTMEQHSOMFTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10-8-11(2)16(15(17)9-10)14-6-4-13(5-7-14)12(3)18/h4-9,12H,18H2,1-3H3.
What are the key properties of 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine?
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine has a molecular weight of 243.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 106882206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).