2-[4-(difluoromethyl)phenyl]propan-2-amine

C10H13F2N — CID 117280197

IUPAC2-[4-(difluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2N/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,13H2,1-2H3
InChIKeyVKQLVMMRSANWKL-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.82
Rot. Bonds2

About 2-[4-(difluoromethyl)phenyl]propan-2-amine

2-[4-(difluoromethyl)phenyl]propan-2-amine (PubChem CID 117280197) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]propan-2-amine
PubChem CID117280197
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-[4-(difluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2N/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,13H2,1-2H3
InChIKeyVKQLVMMRSANWKL-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
CID 117414435
4-(difluoromethyl)aniline;ethane
CID 178149856
CID 123503205
CID 123503205
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
2-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
CID 118201808
(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
CID 117306672
2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675046
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]propan-2-amine (CID 117280197) is 2-[4-(difluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]propan-2-amine?
The InChIKey is VKQLVMMRSANWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,13H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]propan-2-amine?
2-[4-(difluoromethyl)phenyl]propan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117280197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).