(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol

C9H11BrClNO — CID 106932356

IUPAC(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClNO/c1-6(13)5-12-9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyBGOBMRQMBQTNLO-ZCFIWIBFSA-N
MW264.55 g/mol
LogP2.90
Rot. Bonds3

About (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol

(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol (PubChem CID 106932356) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
PubChem CID106932356
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClNO/c1-6(13)5-12-9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyBGOBMRQMBQTNLO-ZCFIWIBFSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
CID 95011182
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
2-bromo-5-chloro-N-(2-fluoroethyl)aniline
CID 81280084

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol?
The IUPAC name of (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol (CID 106932356) is (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol is C[C@@H](O)CNc1cc(Cl)ccc1Br.
What is the InChIKey of (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol?
The InChIKey is BGOBMRQMBQTNLO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-6(13)5-12-9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol?
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol has a molecular weight of 264.55 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromo-5-chloroanilino)propan-2-ol is sourced from PubChem (CID 106932356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).