2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine

C11H16FN — CID 84768561

IUPAC2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(F)c(C(C)(C)N)cc1C
InChIInChI=1S/C11H16FN/c1-7-5-9(11(3,4)13)10(12)6-8(7)2/h5-6H,13H2,1-4H3
InChIKeyTVVDCLGRLKANLT-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.64
Rot. Bonds1

About 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine

2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine (PubChem CID 84768561) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
PubChem CID84768561
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(F)c(C(C)(C)N)cc1C
InChIInChI=1S/C11H16FN/c1-7-5-9(11(3,4)13)10(12)6-8(7)2/h5-6H,13H2,1-4H3
InChIKeyTVVDCLGRLKANLT-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296662
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
CID 84774489
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130059435
(2R)-2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130714816
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine
CID 117334212
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
2-(2,4-difluoro-3-methylphenyl)propan-2-amine
CID 83410035

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine (CID 84768561) is 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine is Cc1cc(F)c(C(C)(C)N)cc1C.
What is the InChIKey of 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine?
The InChIKey is TVVDCLGRLKANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-7-5-9(11(3,4)13)10(12)6-8(7)2/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine?
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 84768561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).