1-[1-(4-bromophenyl)propylamino]butan-2-ol

C13H20BrNO — CID 115899581

IUPAC1-[1-(4-bromophenyl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-12(16)9-15-13(4-2)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyWCBNJHBDLFBGTK-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds6

About 1-[1-(4-bromophenyl)propylamino]butan-2-ol

1-[1-(4-bromophenyl)propylamino]butan-2-ol (PubChem CID 115899581) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)propylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)propylamino]butan-2-ol
PubChem CID115899581
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-[1-(4-bromophenyl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-12(16)9-15-13(4-2)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyWCBNJHBDLFBGTK-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
CID 79548028
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
1-(4-bromophenyl)-N-(2-methylsulfinylpropyl)propan-1-amine
CID 115896261
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
CID 111755561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)propylamino]butan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)propylamino]butan-2-ol (CID 115899581) is 1-[1-(4-bromophenyl)propylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)propylamino]butan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)propylamino]butan-2-ol is CCC(O)CNC(CC)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)propylamino]butan-2-ol?
The InChIKey is WCBNJHBDLFBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-12(16)9-15-13(4-2)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)propylamino]butan-2-ol?
1-[1-(4-bromophenyl)propylamino]butan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)propylamino]butan-2-ol is sourced from PubChem (CID 115899581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).