N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine

C13H19F2N — CID 102868679

IUPACN-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
SMILESCCCC(NC(C)C(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N/c1-3-7-12(16-10(2)13(14)15)11-8-5-4-6-9-11/h4-6,8-10,12-13,16H,3,7H2,1-2H3
InChIKeyWMRGRSGQZXNEMY-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.77
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine

N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine (PubChem CID 102868679) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
PubChem CID102868679
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
SMILESCCCC(NC(C)C(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N/c1-3-7-12(16-10(2)13(14)15)11-8-5-4-6-9-11/h4-6,8-10,12-13,16H,3,7H2,1-2H3
InChIKeyWMRGRSGQZXNEMY-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
2-(1-phenylbutylamino)propanamide
CID 43401102
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
4-(1-phenylbutylamino)pentanal
CID 174525536
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine (CID 102868679) is N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine is CCCC(NC(C)C(F)F)c1ccccc1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine?
The InChIKey is WMRGRSGQZXNEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-7-12(16-10(2)13(14)15)11-8-5-4-6-9-11/h4-6,8-10,12-13,16H,3,7H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine?
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.77, 6 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)-1-phenylbutan-1-amine is sourced from PubChem (CID 102868679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).