1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol

C17H21NO3 — CID 171859130

IUPAC1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C17H21NO3/c1-18-11-15(19)17(20)13-9-7-12(8-10-13)14-5-3-4-6-16(14)21-2/h3-10,15,17-20H,11H2,1-2H3
InChIKeyRXXAQTFFPHDJMS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol

1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol (PubChem CID 171859130) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
PubChem CID171859130
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C17H21NO3/c1-18-11-15(19)17(20)13-9-7-12(8-10-13)14-5-3-4-6-16(14)21-2/h3-10,15,17-20H,11H2,1-2H3
InChIKeyRXXAQTFFPHDJMS-UHFFFAOYSA-N
XLogP1.98
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170821073
3-chloro-1-[4-(2-methoxyphenyl)phenyl]propane-1,2-diol
CID 171863230
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
1-[4-(diethoxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859140
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol (CID 171859130) is 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol?
The InChIKey is RXXAQTFFPHDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-11-15(19)17(20)13-9-7-12(8-10-13)14-5-3-4-6-16(14)21-2/h3-10,15,17-20H,11H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol?
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol has a molecular weight of 287.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).