3-(1-fluoro-2-methylpropan-2-yl)aniline

C10H14FN — CID 105433528

IUPAC3-(1-fluoro-2-methylpropan-2-yl)aniline
SMILESCC(C)(CF)c1cccc(N)c1
InChIInChI=1S/C10H14FN/c1-10(2,7-11)8-4-3-5-9(12)6-8/h3-6H,7,12H2,1-2H3
InChIKeyZGHFPNAEJKWATG-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.52
Rot. Bonds2

About 3-(1-fluoro-2-methylpropan-2-yl)aniline

3-(1-fluoro-2-methylpropan-2-yl)aniline (PubChem CID 105433528) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-(1-fluoro-2-methylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-(1-fluoro-2-methylpropan-2-yl)aniline
PubChem CID105433528
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-(1-fluoro-2-methylpropan-2-yl)aniline
SMILESCC(C)(CF)c1cccc(N)c1
InChIInChI=1S/C10H14FN/c1-10(2,7-11)8-4-3-5-9(12)6-8/h3-6H,7,12H2,1-2H3
InChIKeyZGHFPNAEJKWATG-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butylaniline;hydrobromide
CID 155928054
3-tert-butylaniline;tert-butylbenzene
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3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
(3-aminophenyl)methanetriamine
CID 175509279
N-[2-(3-aminophenyl)-2-methylpropyl]-3-tert-butyl-4-fluoroaniline
CID 166890770
2-(3-aminophenyl)-4-methylpentan-2-ol
CID 89270411
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
CID 117048034
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
2-(3-aminophenyl)-2-fluoropropanoate
CID 86640274
aniline;3-(trifluoromethyl)aniline
CID 160634583
3-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025375
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-2-methylpropan-2-yl)aniline?
The IUPAC name of 3-(1-fluoro-2-methylpropan-2-yl)aniline (CID 105433528) is 3-(1-fluoro-2-methylpropan-2-yl)aniline.
What is the SMILES notation for 3-(1-fluoro-2-methylpropan-2-yl)aniline?
The canonical SMILES for 3-(1-fluoro-2-methylpropan-2-yl)aniline is CC(C)(CF)c1cccc(N)c1.
What is the InChIKey of 3-(1-fluoro-2-methylpropan-2-yl)aniline?
The InChIKey is ZGHFPNAEJKWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-10(2,7-11)8-4-3-5-9(12)6-8/h3-6H,7,12H2,1-2H3.
What are the key properties of 3-(1-fluoro-2-methylpropan-2-yl)aniline?
3-(1-fluoro-2-methylpropan-2-yl)aniline has a molecular weight of 167.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-2-methylpropan-2-yl)aniline is sourced from PubChem (CID 105433528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).