N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine

C13H19F2N — CID 102868420

IUPACN-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NC(C)C(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N/c1-9(2)12(16-10(3)13(14)15)11-7-5-4-6-8-11/h4-10,12-13,16H,1-3H3
InChIKeyISVKLMCHPOLWJT-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.63
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine

N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 102868420) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine
PubChem CID102868420
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NC(C)C(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N/c1-9(2)12(16-10(3)13(14)15)11-7-5-4-6-8-11/h4-10,12-13,16H,1-3H3
InChIKeyISVKLMCHPOLWJT-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
CID 113457713
N-but-3-en-2-yl-2-methyl-1-phenylpropan-1-amine
CID 115591753
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
methyl (2S)-3-methyl-2-[[(1S)-2-methyl-1-phenylpropyl]amino]butanoate
CID 93043992
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine (CID 102868420) is N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine is CC(C)C(NC(C)C(F)F)c1ccccc1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is ISVKLMCHPOLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-9(2)12(16-10(3)13(14)15)11-7-5-4-6-8-11/h4-10,12-13,16H,1-3H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine?
N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 102868420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).