(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol

C10H13BrClNO2 — CID 165476502

IUPAC(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO2/c11-10-2-1-8(12)3-7(10)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2/t9-/m1/s1
InChIKeyZRYBWIBKGIIQLX-SECBINFHSA-N
MW294.58 g/mol
LogP1.55
Rot. Bonds5

About (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol

(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol (PubChem CID 165476502) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
PubChem CID165476502
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC Name(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO2/c11-10-2-1-8(12)3-7(10)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2/t9-/m1/s1
InChIKeyZRYBWIBKGIIQLX-SECBINFHSA-N
XLogP1.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 66159586
2-[(2-bromo-4-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 81499030
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 66159282
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol (CID 165476502) is (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol is OC[C@H](O)CNCc1cc(Cl)ccc1Br.
What is the InChIKey of (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol?
The InChIKey is ZRYBWIBKGIIQLX-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrClNO2/c11-10-2-1-8(12)3-7(10)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2/t9-/m1/s1.
What are the key properties of (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol?
(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol has a molecular weight of 294.58 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 165476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).