1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine

C11H16FN — CID 60730207

IUPAC1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1C(N)C(C)C
InChIInChI=1S/C11H16FN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3
InChIKeyPTISJUUCKRWEEN-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.79
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine

1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine (PubChem CID 60730207) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
PubChem CID60730207
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1C(N)C(C)C
InChIInChI=1S/C11H16FN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3
InChIKeyPTISJUUCKRWEEN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724075
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine (CID 60730207) is 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine is Cc1ccc(F)cc1C(N)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is PTISJUUCKRWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 60730207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).