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

C10H14BrNO — CID 82386022

IUPAC4-amino-1-(2-bromophenyl)butan-2-ol
SMILESNCCC(O)Cc1ccccc1Br
InChIInChI=1S/C10H14BrNO/c11-10-4-2-1-3-8(10)7-9(13)5-6-12/h1-4,9,13H,5-7,12H2
InChIKeyYWODNWYLTFKCQW-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.70
Rot. Bonds4

About 4-amino-1-(2-bromophenyl)butan-2-ol

4-amino-1-(2-bromophenyl)butan-2-ol (PubChem CID 82386022) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-amino-1-(2-bromophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(2-bromophenyl)butan-2-ol
PubChem CID82386022
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-amino-1-(2-bromophenyl)butan-2-ol
SMILESNCCC(O)Cc1ccccc1Br
InChIInChI=1S/C10H14BrNO/c11-10-4-2-1-3-8(10)7-9(13)5-6-12/h1-4,9,13H,5-7,12H2
InChIKeyYWODNWYLTFKCQW-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-Amino-3-phenylpropan-2-ol
CID 3758046
2-Amino-1-(2-bromophenyl)ethan-1-ol
CID 12474014
2-Amino-2-(4-bromophenyl)ethanol
CID 14853193
3-Amino-3-(4-bromophenyl)propan-1-ol
CID 24729692
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
3-Amino-1-(4-bromophenyl)propan-1-ol
CID 56686930
3-Amino-3-(2-bromophenyl)propan-1-ol
CID 62389008
(2R)-1-amino-3-phenylpropan-2-ol
CID 10898873
(2S)-1-amino-3-phenylpropan-2-ol
CID 12861576
2-Amino-1-(3-bromophenyl)ethan-1-ol hydrochloride
CID 22021066
3-Amino-3-(3-bromo-phenyl)-propan-1-ol
CID 44891234
(1S)-2-amino-1-(3-bromophenyl)ethan-1-ol hydrochloride
CID 67265924

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromophenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(2-bromophenyl)butan-2-ol (CID 82386022) is 4-amino-1-(2-bromophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(2-bromophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(2-bromophenyl)butan-2-ol is NCCC(O)Cc1ccccc1Br.
What is the InChIKey of 4-amino-1-(2-bromophenyl)butan-2-ol?
The InChIKey is YWODNWYLTFKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-10-4-2-1-3-8(10)7-9(13)5-6-12/h1-4,9,13H,5-7,12H2.
What are the key properties of 4-amino-1-(2-bromophenyl)butan-2-ol?
4-amino-1-(2-bromophenyl)butan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromophenyl)butan-2-ol is sourced from PubChem (CID 82386022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).