3-[4-(dimethylamino)phenyl]-4-fluoroaniline

C14H15FN2 — CID 104781143

IUPAC3-[4-(dimethylamino)phenyl]-4-fluoroaniline
SMILESCN(C)c1ccc(-c2cc(N)ccc2F)cc1
InChIInChI=1S/C14H15FN2/c1-17(2)12-6-3-10(4-7-12)13-9-11(16)5-8-14(13)15/h3-9H,16H2,1-2H3
InChIKeyNOGYXOAIMOPDKA-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.14
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-4-fluoroaniline

3-[4-(dimethylamino)phenyl]-4-fluoroaniline (PubChem CID 104781143) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4-fluoroaniline
PubChem CID104781143
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-[4-(dimethylamino)phenyl]-4-fluoroaniline
SMILESCN(C)c1ccc(-c2cc(N)ccc2F)cc1
InChIInChI=1S/C14H15FN2/c1-17(2)12-6-3-10(4-7-12)13-9-11(16)5-8-14(13)15/h3-9H,16H2,1-2H3
InChIKeyNOGYXOAIMOPDKA-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
CID 166120430
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
3-(4-benzylphenyl)-4-fluoroaniline
CID 104781281
4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
CID 175068481
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4-fluoroaniline?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4-fluoroaniline (CID 104781143) is 3-[4-(dimethylamino)phenyl]-4-fluoroaniline.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4-fluoroaniline?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4-fluoroaniline is CN(C)c1ccc(-c2cc(N)ccc2F)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4-fluoroaniline?
The InChIKey is NOGYXOAIMOPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-17(2)12-6-3-10(4-7-12)13-9-11(16)5-8-14(13)15/h3-9H,16H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-4-fluoroaniline?
3-[4-(dimethylamino)phenyl]-4-fluoroaniline has a molecular weight of 230.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4-fluoroaniline is sourced from PubChem (CID 104781143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).