3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine

C12H18FN — CID 81016538

IUPAC3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(8-14-3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyQIBLPKNBGXRRND-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine

3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine (PubChem CID 81016538) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
PubChem CID81016538
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(8-14-3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyQIBLPKNBGXRRND-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81015779
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
2-(2-fluorophenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116824647
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine (CID 81016538) is 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is QIBLPKNBGXRRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(8-14-3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine?
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 81016538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).