3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol

C11H17NO3 — CID 170827972

IUPAC3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN)ccc1C
InChIInChI=1S/C11H17NO3/c1-7-3-4-8(5-10(7)15-2)11(14)9(13)6-12/h3-5,9,11,13-14H,6,12H2,1-2H3
InChIKeySCGYPRSHVDOKOE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.36
Rot. Bonds4

About 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol

3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol (PubChem CID 170827972) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
PubChem CID170827972
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN)ccc1C
InChIInChI=1S/C11H17NO3/c1-7-3-4-8(5-10(7)15-2)11(14)9(13)6-12/h3-5,9,11,13-14H,6,12H2,1-2H3
InChIKeySCGYPRSHVDOKOE-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-(3-methoxy-4-methylphenyl)butanenitrile
CID 171900901
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
3-amino-1-(5-iodothiophen-3-yl)-2-(3-methoxy-4-methylphenyl)propan-1-ol
CID 79691413
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
1-chloro-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 130894180
3-amino-1-(3-iodo-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170829256
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
[4-(3-amino-1,2-dihydroxypropyl)-2-methoxyphenyl] 4-fluorobenzoate
CID 170829206
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol (CID 170827972) is 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol is COc1cc(C(O)C(O)CN)ccc1C.
What is the InChIKey of 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol?
The InChIKey is SCGYPRSHVDOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-3-4-8(5-10(7)15-2)11(14)9(13)6-12/h3-5,9,11,13-14H,6,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol?
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 170827972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).