1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine

C11H16FN — CID 23109614

IUPAC1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(CC(C)(C)N)cc1F
InChIInChI=1S/C11H16FN/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyKEPZZWXEENDALY-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine

1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine (PubChem CID 23109614) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
PubChem CID23109614
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(CC(C)(C)N)cc1F
InChIInChI=1S/C11H16FN/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyKEPZZWXEENDALY-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

4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene
CID 89023362
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine (CID 23109614) is 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine is Cc1ccc(CC(C)(C)N)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is KEPZZWXEENDALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine?
1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 23109614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).