1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine

C11H16FN — CID 22063499

IUPAC1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1CC(C)(C)N
InChIInChI=1S/C11H16FN/c1-8-6-10(12)5-4-9(8)7-11(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyFDKVQXHBNNQCNP-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.41
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine

1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine (PubChem CID 22063499) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
PubChem CID22063499
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1CC(C)(C)N
InChIInChI=1S/C11H16FN/c1-8-6-10(12)5-4-9(8)7-11(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyFDKVQXHBNNQCNP-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347080
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
3-amino-2-[(4-fluoro-2-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899883
5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
CID 114349443
1-[2-(chloromethyl)-2,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349945
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine (CID 22063499) is 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine is Cc1cc(F)ccc1CC(C)(C)N.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is FDKVQXHBNNQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-6-10(12)5-4-9(8)7-11(2,3)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 22063499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).