3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine

C14H22FN — CID 117320874

IUPAC3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
SMILESCC(CCN)c1cccc(CC(C)(C)F)c1
InChIInChI=1S/C14H22FN/c1-11(7-8-16)13-6-4-5-12(9-13)10-14(2,3)15/h4-6,9,11H,7-8,10,16H2,1-3H3
InChIKeyIHMWHWHGWKPOJH-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.43
Rot. Bonds5

About 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine

3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine (PubChem CID 117320874) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
PubChem CID117320874
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
SMILESCC(CCN)c1cccc(CC(C)(C)F)c1
InChIInChI=1S/C14H22FN/c1-11(7-8-16)13-6-4-5-12(9-13)10-14(2,3)15/h4-6,9,11H,7-8,10,16H2,1-3H3
InChIKeyIHMWHWHGWKPOJH-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
3-(3-hexylphenyl)butan-1-amine
CID 130373287
3-[3-(2-methoxypropyl)phenyl]butan-1-amine
CID 115113519
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501
2-[3-(fluoromethyl)phenyl]propan-1-amine
CID 84652810
3-[3-[4-(trifluoromethyl)phenyl]sulfonylphenyl]butan-1-amine
CID 57101391
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
4-(3-tert-butylphenyl)pentan-1-amine
CID 66582210
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
(2-fluoro-2-methylpropyl)benzene
CID 14343442

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine (CID 117320874) is 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine is CC(CCN)c1cccc(CC(C)(C)F)c1.
What is the InChIKey of 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is IHMWHWHGWKPOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(7-8-16)13-6-4-5-12(9-13)10-14(2,3)15/h4-6,9,11H,7-8,10,16H2,1-3H3.
What are the key properties of 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine?
3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 117320874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).