(2S)-2-amino-2-(3-bromophenyl)propan-1-ol

C9H12BrNO — CID 66931490

IUPAC(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3/t9-/m1/s1
InChIKeyYZTHTUJFBRUOSD-SECBINFHSA-N
MW230.10 g/mol
LogP1.62
Rot. Bonds2

About (2S)-2-amino-2-(3-bromophenyl)propan-1-ol

(2S)-2-amino-2-(3-bromophenyl)propan-1-ol (PubChem CID 66931490) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
PubChem CID66931490
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3/t9-/m1/s1
InChIKeyYZTHTUJFBRUOSD-SECBINFHSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
2-(3-bromophenyl)-6-methylheptan-2-amine
CID 83158078
3-amino-2,2-bis(3-bromophenyl)propan-1-ol
CID 129196579
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
2-(3-bromophenyl)-2-(3,3-dimethylbutyl)propane-1,3-diol
CID 79448373
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-bromophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(3-bromophenyl)propan-1-ol (CID 66931490) is (2S)-2-amino-2-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(3-bromophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(3-bromophenyl)propan-1-ol is C[C@@](N)(CO)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-2-(3-bromophenyl)propan-1-ol?
The InChIKey is YZTHTUJFBRUOSD-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-bromophenyl)propan-1-ol?
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 66931490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).