1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine

C13H20FN — CID 117299446

IUPAC1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
SMILESCc1ccc(C(C)(C)F)cc1CC(C)N
InChIInChI=1S/C13H20FN/c1-9-5-6-12(13(3,4)14)8-11(9)7-10(2)15/h5-6,8,10H,7,15H2,1-4H3
InChIKeyKMZNIBVPBKHLPY-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.09
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine

1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine (PubChem CID 117299446) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
PubChem CID117299446
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
SMILESCc1ccc(C(C)(C)F)cc1CC(C)N
InChIInChI=1S/C13H20FN/c1-9-5-6-12(13(3,4)14)8-11(9)7-10(2)15/h5-6,8,10H,7,15H2,1-4H3
InChIKeyKMZNIBVPBKHLPY-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117305547
4-tert-butyl-1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83935377
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine (CID 117299446) is 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine is Cc1ccc(C(C)(C)F)cc1CC(C)N.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is KMZNIBVPBKHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-5-6-12(13(3,4)14)8-11(9)7-10(2)15/h5-6,8,10H,7,15H2,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine?
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 117299446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).