3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol

C12H16BrF2NO — CID 103522473

IUPAC3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
SMILESCC(Cc1ccc(Br)cc1)NCC(F)(F)CO
InChIInChI=1S/C12H16BrF2NO/c1-9(16-7-12(14,15)8-17)6-10-2-4-11(13)5-3-10/h2-5,9,16-17H,6-8H2,1H3
InChIKeyJCTQDIPXMARLAM-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.60
Rot. Bonds6

About 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol

3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol (PubChem CID 103522473) has the molecular formula C12H16BrF2NO and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
PubChem CID103522473
Molecular FormulaC12H16BrF2NO
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
SMILESCC(Cc1ccc(Br)cc1)NCC(F)(F)CO
InChIInChI=1S/C12H16BrF2NO/c1-9(16-7-12(14,15)8-17)6-10-2-4-11(13)5-3-10/h2-5,9,16-17H,6-8H2,1H3
InChIKeyJCTQDIPXMARLAM-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
3-[[(2R)-1-(3-amino-2-fluorophenyl)propan-2-yl]amino]-2,2-difluoropropan-1-ol
CID 166473268
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
CID 174234138
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol (CID 103522473) is 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol is CC(Cc1ccc(Br)cc1)NCC(F)(F)CO.
What is the InChIKey of 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol?
The InChIKey is JCTQDIPXMARLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO/c1-9(16-7-12(14,15)8-17)6-10-2-4-11(13)5-3-10/h2-5,9,16-17H,6-8H2,1H3.
What are the key properties of 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol?
3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol has a molecular weight of 308.17 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 103522473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).