(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol

C10H14BrNO2 — CID 70935022

IUPAC(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
SMILESCc1cc(NC[C@@H](O)CO)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-7-4-8(2-3-10(7)11)12-5-9(14)6-13/h2-4,9,12-14H,5-6H2,1H3/t9-/m1/s1
InChIKeyHAIUPVNOXGPKJR-SECBINFHSA-N
MW260.13 g/mol
LogP1.52
Rot. Bonds4

About (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol

(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol (PubChem CID 70935022) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
PubChem CID70935022
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
SMILESCc1cc(NC[C@@H](O)CO)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-7-4-8(2-3-10(7)11)12-5-9(14)6-13/h2-4,9,12-14H,5-6H2,1H3/t9-/m1/s1
InChIKeyHAIUPVNOXGPKJR-SECBINFHSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
2-bromo-5-(2,3-dihydroxypropylamino)benzoic acid
CID 168597373
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
CID 168596416
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
3-(4-bromo-2,5-dimethylanilino)propane-1,2-diol
CID 168596082
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol?
The IUPAC name of (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol (CID 70935022) is (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol?
The canonical SMILES for (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol is Cc1cc(NC[C@@H](O)CO)ccc1Br.
What is the InChIKey of (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol?
The InChIKey is HAIUPVNOXGPKJR-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-4-8(2-3-10(7)11)12-5-9(14)6-13/h2-4,9,12-14H,5-6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol?
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol has a molecular weight of 260.13 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol is sourced from PubChem (CID 70935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).