4-(1-fluoro-2-methylpropyl)aniline

C10H14FN — CID 83855607

IUPAC4-(1-fluoro-2-methylpropyl)aniline
SMILESCC(C)C(F)c1ccc(N)cc1
InChIInChI=1S/C10H14FN/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10H,12H2,1-2H3
InChIKeyMCSHIYIICRAKDK-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.94
Rot. Bonds2

About 4-(1-fluoro-2-methylpropyl)aniline

4-(1-fluoro-2-methylpropyl)aniline (PubChem CID 83855607) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-(1-fluoro-2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(1-fluoro-2-methylpropyl)aniline
PubChem CID83855607
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-(1-fluoro-2-methylpropyl)aniline
SMILESCC(C)C(F)c1ccc(N)cc1
InChIInChI=1S/C10H14FN/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10H,12H2,1-2H3
InChIKeyMCSHIYIICRAKDK-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
CID 58964096
4-(1-amino-2-methylpropyl)aniline
CID 55283645
4-(difluoromethyl)aniline;ethane
CID 178149856
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
4-[1-(3-methylbutan-2-ylsulfanyl)ethyl]aniline
CID 107748694
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
3-(4-aminophenyl)butanal
CID 143206837
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
1-[1-(4-aminophenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 116650666

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2-methylpropyl)aniline?
The IUPAC name of 4-(1-fluoro-2-methylpropyl)aniline (CID 83855607) is 4-(1-fluoro-2-methylpropyl)aniline.
What is the SMILES notation for 4-(1-fluoro-2-methylpropyl)aniline?
The canonical SMILES for 4-(1-fluoro-2-methylpropyl)aniline is CC(C)C(F)c1ccc(N)cc1.
What is the InChIKey of 4-(1-fluoro-2-methylpropyl)aniline?
The InChIKey is MCSHIYIICRAKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10H,12H2,1-2H3.
What are the key properties of 4-(1-fluoro-2-methylpropyl)aniline?
4-(1-fluoro-2-methylpropyl)aniline has a molecular weight of 167.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2-methylpropyl)aniline is sourced from PubChem (CID 83855607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).