2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine

C12H17F2N — CID 116992517

IUPAC2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
SMILESCCC(F)(F)c1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H17F2N/c1-4-12(13,14)10-7-5-6-9(8-10)11(2,3)15/h5-8H,4,15H2,1-3H3
InChIKeyMLIVVJVOMXGFDB-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.38
Rot. Bonds3

About 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine

2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine (PubChem CID 116992517) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
PubChem CID116992517
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
SMILESCCC(F)(F)c1cccc(C(C)(C)N)c1
InChIInChI=1S/C12H17F2N/c1-4-12(13,14)10-7-5-6-9(8-10)11(2,3)15/h5-8H,4,15H2,1-3H3
InChIKeyMLIVVJVOMXGFDB-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
CID 141060662
4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
CID 116841304
4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
CID 116992553
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
CID 163372499
bis(3-tert-butylphenyl)methanediamine
CID 141292033
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol
CID 163973931

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine (CID 116992517) is 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine is CCC(F)(F)c1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine?
The InChIKey is MLIVVJVOMXGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-4-12(13,14)10-7-5-6-9(8-10)11(2,3)15/h5-8H,4,15H2,1-3H3.
What are the key properties of 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine?
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine is sourced from PubChem (CID 116992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).