5-fluoro-2-(2-methylpropyl)aniline

C10H14FN — CID 105433538

IUPAC5-fluoro-2-(2-methylpropyl)aniline
SMILESCC(C)Cc1ccc(F)cc1N
InChIInChI=1S/C10H14FN/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5,12H2,1-2H3
InChIKeyVEIJRXCXSNOXOG-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.61
Rot. Bonds2

About 5-fluoro-2-(2-methylpropyl)aniline

5-fluoro-2-(2-methylpropyl)aniline (PubChem CID 105433538) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropyl)aniline
PubChem CID105433538
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name5-fluoro-2-(2-methylpropyl)aniline
SMILESCC(C)Cc1ccc(F)cc1N
InChIInChI=1S/C10H14FN/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5,12H2,1-2H3
InChIKeyVEIJRXCXSNOXOG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
5-fluoro-2-(propan-2-ylsulfonylmethyl)aniline
CID 64769392
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
CID 6330703
CID 6330703
2,4-difluoro-1-(2-methylpropyl)benzene;ethane;5-ethyl-1,2,3-trifluorobenzene
CID 156727058
5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
CID 59389599
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(3-chloropropyl)-5-fluoroaniline
CID 118853666

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropyl)aniline?
The IUPAC name of 5-fluoro-2-(2-methylpropyl)aniline (CID 105433538) is 5-fluoro-2-(2-methylpropyl)aniline.
What is the SMILES notation for 5-fluoro-2-(2-methylpropyl)aniline?
The canonical SMILES for 5-fluoro-2-(2-methylpropyl)aniline is CC(C)Cc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(2-methylpropyl)aniline?
The InChIKey is VEIJRXCXSNOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methylpropyl)aniline?
5-fluoro-2-(2-methylpropyl)aniline has a molecular weight of 167.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropyl)aniline is sourced from PubChem (CID 105433538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).