(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol

C10H13Cl2NO2 — CID 96921213

IUPAC(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2/c11-9-2-1-3-10(12)8(9)5-13-4-7(15)6-14/h1-3,7,13-15H,4-6H2/t7-/m1/s1
InChIKeyCVQQEOQCKZHTAK-SSDOTTSWSA-N
MW250.12 g/mol
LogP1.44
Rot. Bonds5

About (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol

(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol (PubChem CID 96921213) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
PubChem CID96921213
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2/c11-9-2-1-3-10(12)8(9)5-13-4-7(15)6-14/h1-3,7,13-15H,4-6H2/t7-/m1/s1
InChIKeyCVQQEOQCKZHTAK-SSDOTTSWSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
CID 103731573
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
3-chloro-2-[(2-ethylbutylamino)methyl]phenol
CID 115625696

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol (CID 96921213) is (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol is OC[C@H](O)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol?
The InChIKey is CVQQEOQCKZHTAK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c11-9-2-1-3-10(12)8(9)5-13-4-7(15)6-14/h1-3,7,13-15H,4-6H2/t7-/m1/s1.
What are the key properties of (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol?
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol has a molecular weight of 250.12 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 96921213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).