2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol

C12H17BrFNO — CID 82973890

IUPAC2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-8(2)15-7-12(3,16)10-5-4-9(13)6-11(10)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyPKPHCZTVFZXWQR-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.79
Rot. Bonds4

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

2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 82973890) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID82973890
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-8(2)15-7-12(3,16)10-5-4-9(13)6-11(10)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyPKPHCZTVFZXWQR-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
2-(4-bromo-2-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 82966689
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-(4-bromo-2-fluorophenyl)-2-(ethylamino)propanenitrile
CID 82964522
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
methyl 3-(4-bromo-2-fluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 82972914
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (CID 82973890) is 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is PKPHCZTVFZXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(2)15-7-12(3,16)10-5-4-9(13)6-11(10)14/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 290.18 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 82973890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).