(2S)-1-(4-bromoanilino)propan-2-ol

C9H12BrNO — CID 39247732

IUPAC(2S)-1-(4-bromoanilino)propan-2-ol
SMILESC[C@H](O)CNc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1
InChIKeyJZOIHMABNUNTLZ-ZETCQYMHSA-N
MW230.11 g/mol
LogP2.24
Rot. Bonds3

About (2S)-1-(4-bromoanilino)propan-2-ol

(2S)-1-(4-bromoanilino)propan-2-ol (PubChem CID 39247732) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is (2S)-1-(4-bromoanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromoanilino)propan-2-ol
PubChem CID39247732
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Name(2S)-1-(4-bromoanilino)propan-2-ol
SMILESC[C@H](O)CNc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1
InChIKeyJZOIHMABNUNTLZ-ZETCQYMHSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
[4-(2-hydroxypropylamino)phenyl]boronic acid
CID 155793577
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
1-(4-propylanilino)propan-2-ol
CID 60884974
(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromoanilino)propan-2-ol?
The IUPAC name of (2S)-1-(4-bromoanilino)propan-2-ol (CID 39247732) is (2S)-1-(4-bromoanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromoanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(4-bromoanilino)propan-2-ol is C[C@H](O)CNc1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromoanilino)propan-2-ol?
The InChIKey is JZOIHMABNUNTLZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(4-bromoanilino)propan-2-ol?
(2S)-1-(4-bromoanilino)propan-2-ol has a molecular weight of 230.11 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromoanilino)propan-2-ol is sourced from PubChem (CID 39247732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).