3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol

C9H11Cl2NO2 — CID 170827623

IUPAC3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2NO2/c10-5-2-1-3-6(11)8(5)9(14)7(13)4-12/h1-3,7,9,13-14H,4,12H2
InChIKeyPRJBCTUYONATSK-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.35
Rot. Bonds3

About 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol

3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol (PubChem CID 170827623) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
PubChem CID170827623
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2NO2/c10-5-2-1-3-6(11)8(5)9(14)7(13)4-12/h1-3,7,9,13-14H,4,12H2
InChIKeyPRJBCTUYONATSK-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
3-amino-1-(2-chloro-6-nitrophenyl)propane-1,2-diol
CID 170828470
1-(2,6-dichlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819441
3-bromo-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 171859547
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(2-chloro-3,6-difluorophenyl)propane-1,2-diol
CID 170829227
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
1-(2-bromo-6-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863325

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol (CID 170827623) is 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol is NCC(O)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol?
The InChIKey is PRJBCTUYONATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c10-5-2-1-3-6(11)8(5)9(14)7(13)4-12/h1-3,7,9,13-14H,4,12H2.
What are the key properties of 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol?
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol has a molecular weight of 236.10 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol is sourced from PubChem (CID 170827623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).