2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol

C13H20BrNO — CID 115705338

IUPAC2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
SMILESCCC(CO)NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-13(9-16)15-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,13,15-16H,3,7,9H2,1-2H3
InChIKeyJDZZKBQQZXUWCS-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.74
Rot. Bonds6

About 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol

2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol (PubChem CID 115705338) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
PubChem CID115705338
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
SMILESCCC(CO)NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-13(9-16)15-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,13,15-16H,3,7,9H2,1-2H3
InChIKeyJDZZKBQQZXUWCS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol?
The IUPAC name of 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol (CID 115705338) is 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol?
The canonical SMILES for 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol is CCC(CO)NC(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol?
The InChIKey is JDZZKBQQZXUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-13(9-16)15-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,13,15-16H,3,7,9H2,1-2H3.
What are the key properties of 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol?
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol is sourced from PubChem (CID 115705338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).