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

C10H14BrNO — CID 82386020

IUPAC3-amino-1-(3-bromophenyl)butan-2-ol
SMILESCC(N)C(O)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-7(12)10(13)6-8-3-2-4-9(11)5-8/h2-5,7,10,13H,6,12H2,1H3
InChIKeySEWGHWTYHOOGIV-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.70
Rot. Bonds3

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

3-amino-1-(3-bromophenyl)butan-2-ol (PubChem CID 82386020) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-amino-1-(3-bromophenyl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromophenyl)butan-2-ol
PubChem CID82386020
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-amino-1-(3-bromophenyl)butan-2-ol
SMILESCC(N)C(O)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-7(12)10(13)6-8-3-2-4-9(11)5-8/h2-5,7,10,13H,6,12H2,1H3
InChIKeySEWGHWTYHOOGIV-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromophenyl)butan-2-ol?
The IUPAC name of 3-amino-1-(3-bromophenyl)butan-2-ol (CID 82386020) is 3-amino-1-(3-bromophenyl)butan-2-ol.
What is the SMILES notation for 3-amino-1-(3-bromophenyl)butan-2-ol?
The canonical SMILES for 3-amino-1-(3-bromophenyl)butan-2-ol is CC(N)C(O)Cc1cccc(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromophenyl)butan-2-ol?
The InChIKey is SEWGHWTYHOOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(12)10(13)6-8-3-2-4-9(11)5-8/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 3-amino-1-(3-bromophenyl)butan-2-ol?
3-amino-1-(3-bromophenyl)butan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromophenyl)butan-2-ol is sourced from PubChem (CID 82386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).