3-(2-fluorophenyl)-N,N-dimethylaniline

C14H14FN — CID 173224461

IUPAC3-(2-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H14FN/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,1-2H3
InChIKeyORGCYZJBQANTPU-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.56
Rot. Bonds2

About 3-(2-fluorophenyl)-N,N-dimethylaniline

3-(2-fluorophenyl)-N,N-dimethylaniline (PubChem CID 173224461) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,N-dimethylaniline
PubChem CID173224461
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name3-(2-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H14FN/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,1-2H3
InChIKeyORGCYZJBQANTPU-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-tert-butylphenyl)-N,N-dimethylaniline
CID 170187811
2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
CID 23217514
2-[3-(dimethylamino)phenyl]benzoic acid
CID 39226074
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1,4-bis(2-fluorophenyl)benzene
CID 58121760
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene
CID 134391839
[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
CID 58067996
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
1-fluoro-3-(2-fluorophenyl)-2-phenylbenzene
CID 90908920

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-fluorophenyl)-N,N-dimethylaniline (CID 173224461) is 3-(2-fluorophenyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-fluorophenyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-fluorophenyl)-N,N-dimethylaniline is CN(C)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N,N-dimethylaniline?
The InChIKey is ORGCYZJBQANTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-16(2)12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N,N-dimethylaniline?
3-(2-fluorophenyl)-N,N-dimethylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,N-dimethylaniline is sourced from PubChem (CID 173224461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).