1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol

C12H17BrFNO — CID 115704219

IUPAC1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol
SMILESCC(O)CNC(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-8(15-7-9(2)16)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7H2,1-2H3
InChIKeyQFQJMCUQYAYNRN-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.49
Rot. Bonds5

About 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol

1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol (PubChem CID 115704219) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol
PubChem CID115704219
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol
SMILESCC(O)CNC(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-8(15-7-9(2)16)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7H2,1-2H3
InChIKeyQFQJMCUQYAYNRN-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
3-bromo-4-(4-bromo-3-fluorophenyl)butan-2-one
CID 65436244
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
2-[(4-bromo-3-fluorophenyl)methylamino]propanoic acid
CID 81436719

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol (CID 115704219) is 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol is CC(O)CNC(C)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol?
The InChIKey is QFQJMCUQYAYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(15-7-9(2)16)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9,15-16H,5,7H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol?
1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol has a molecular weight of 290.18 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 115704219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).