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

C12H18BrNO — CID 103522264

IUPAC2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
SMILESCC(CO)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(14-10(2)8-15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyIECQLJFJTWWGTK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.35
Rot. Bonds5

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

2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol (PubChem CID 103522264) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
PubChem CID103522264
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
SMILESCC(CO)NC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(14-10(2)8-15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyIECQLJFJTWWGTK-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
CID 103522473
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
1-bromo-4-(2-bromopropyl)benzene
CID 63017795

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol (CID 103522264) is 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol is CC(CO)NC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol?
The InChIKey is IECQLJFJTWWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(14-10(2)8-15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol?
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).