2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol

C13H20ClNO3 — CID 107865058

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H20ClNO3/c1-3-13(8-16,9-17)15-7-10-11(14)5-4-6-12(10)18-2/h4-6,15-17H,3,7-9H2,1-2H3
InChIKeyGAXOWTUWNYGXPU-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.57
Rot. Bonds7

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol

2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol (PubChem CID 107865058) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
PubChem CID107865058
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H20ClNO3/c1-3-13(8-16,9-17)15-7-10-11(14)5-4-6-12(10)18-2/h4-6,15-17H,3,7-9H2,1-2H3
InChIKeyGAXOWTUWNYGXPU-UHFFFAOYSA-N
XLogP1.57
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 113248212
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 65022002
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62523478
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-[(2-chloro-6-methoxyphenyl)methyl]-3-ethylthiourea
CID 103292116
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol (CID 107865058) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NCc1c(Cl)cccc1OC.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol?
The InChIKey is GAXOWTUWNYGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-3-13(8-16,9-17)15-7-10-11(14)5-4-6-12(10)18-2/h4-6,15-17H,3,7-9H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol?
2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol has a molecular weight of 273.76 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107865058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).