2-amino-3-(2-bromophenyl)butan-1-ol

C10H14BrNO — CID 83912818

IUPAC2-amino-3-(2-bromophenyl)butan-1-ol
SMILESCC(c1ccccc1Br)C(N)CO
InChIInChI=1S/C10H14BrNO/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyMSNVSQSUOLLFJT-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-3-(2-bromophenyl)butan-1-ol

2-amino-3-(2-bromophenyl)butan-1-ol (PubChem CID 83912818) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-amino-3-(2-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-bromophenyl)butan-1-ol
PubChem CID83912818
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-amino-3-(2-bromophenyl)butan-1-ol
SMILESCC(c1ccccc1Br)C(N)CO
InChIInChI=1S/C10H14BrNO/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyMSNVSQSUOLLFJT-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(2-bromophenyl)methanediamine
CID 22286781
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromophenyl)butan-1-ol?
The IUPAC name of 2-amino-3-(2-bromophenyl)butan-1-ol (CID 83912818) is 2-amino-3-(2-bromophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3-(2-bromophenyl)butan-1-ol?
The canonical SMILES for 2-amino-3-(2-bromophenyl)butan-1-ol is CC(c1ccccc1Br)C(N)CO.
What is the InChIKey of 2-amino-3-(2-bromophenyl)butan-1-ol?
The InChIKey is MSNVSQSUOLLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(10(12)6-13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 2-amino-3-(2-bromophenyl)butan-1-ol?
2-amino-3-(2-bromophenyl)butan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromophenyl)butan-1-ol is sourced from PubChem (CID 83912818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).