2-(2,4-difluoro-3-methylphenyl)propan-2-amine

C10H13F2N — CID 83410035

IUPAC2-(2,4-difluoro-3-methylphenyl)propan-2-amine
SMILESCc1c(F)ccc(C(C)(C)N)c1F
InChIInChI=1S/C10H13F2N/c1-6-8(11)5-4-7(9(6)12)10(2,3)13/h4-5H,13H2,1-3H3
InChIKeyRIWPJNMLZNHBOD-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.47
Rot. Bonds1

About 2-(2,4-difluoro-3-methylphenyl)propan-2-amine

2-(2,4-difluoro-3-methylphenyl)propan-2-amine (PubChem CID 83410035) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-difluoro-3-methylphenyl)propan-2-amine
PubChem CID83410035
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(2,4-difluoro-3-methylphenyl)propan-2-amine
SMILESCc1c(F)ccc(C(C)(C)N)c1F
InChIInChI=1S/C10H13F2N/c1-6-8(11)5-4-7(9(6)12)10(2,3)13/h4-5H,13H2,1-3H3
InChIKeyRIWPJNMLZNHBOD-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2,3-difluorophenyl)propan-2-amine
CID 117378217
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
2,4-difluoro-N,3-dimethylaniline
CID 134441747
1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156569
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
2-(4-bromo-2,3-dimethylphenyl)propan-2-amine
CID 84801575
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
CID 84774489
1-(2,5-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963750

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-methylphenyl)propan-2-amine?
The IUPAC name of 2-(2,4-difluoro-3-methylphenyl)propan-2-amine (CID 83410035) is 2-(2,4-difluoro-3-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,4-difluoro-3-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(2,4-difluoro-3-methylphenyl)propan-2-amine is Cc1c(F)ccc(C(C)(C)N)c1F.
What is the InChIKey of 2-(2,4-difluoro-3-methylphenyl)propan-2-amine?
The InChIKey is RIWPJNMLZNHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-6-8(11)5-4-7(9(6)12)10(2,3)13/h4-5H,13H2,1-3H3.
What are the key properties of 2-(2,4-difluoro-3-methylphenyl)propan-2-amine?
2-(2,4-difluoro-3-methylphenyl)propan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-methylphenyl)propan-2-amine is sourced from PubChem (CID 83410035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).