3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline

C16H19FN2 — CID 54480376

IUPAC3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline
SMILESCN(C)CCc1cccc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-19(2)11-10-13-4-3-5-16(12-13)18-15-8-6-14(17)7-9-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyZGYGYNRVOGAUMR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.67
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline

3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline (PubChem CID 54480376) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline
PubChem CID54480376
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline
SMILESCN(C)CCc1cccc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-19(2)11-10-13-4-3-5-16(12-13)18-15-8-6-14(17)7-9-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyZGYGYNRVOGAUMR-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 71021184
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
N-[3-(chloromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 65023741

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline (CID 54480376) is 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline is CN(C)CCc1cccc(Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline?
The InChIKey is ZGYGYNRVOGAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(2)11-10-13-4-3-5-16(12-13)18-15-8-6-14(17)7-9-15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline?
3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline has a molecular weight of 258.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 54480376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).