4-(3-amino-1-methoxypropyl)benzene-1,2-diol

C10H15NO3 — CID 83831333

IUPAC4-(3-amino-1-methoxypropyl)benzene-1,2-diol
SMILESCOC(CCN)c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO3/c1-14-10(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,12-13H,4-5,11H2,1H3
InChIKeyVDKQYDUIZLZWIN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.13
Rot. Bonds4

About 4-(3-amino-1-methoxypropyl)benzene-1,2-diol

4-(3-amino-1-methoxypropyl)benzene-1,2-diol (PubChem CID 83831333) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(3-amino-1-methoxypropyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-amino-1-methoxypropyl)benzene-1,2-diol
PubChem CID83831333
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(3-amino-1-methoxypropyl)benzene-1,2-diol
SMILESCOC(CCN)c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO3/c1-14-10(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,12-13H,4-5,11H2,1H3
InChIKeyVDKQYDUIZLZWIN-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
4-[(1S)-2-hydroxy-1-methoxyethyl]benzene-1,2-diol
CID 86333779
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol
CID 146368643
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[(1R)-2-amino-1-(3,4-dihydroxyphenyl)ethoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 166722013
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-methoxypropyl)benzene-1,2-diol?
The IUPAC name of 4-(3-amino-1-methoxypropyl)benzene-1,2-diol (CID 83831333) is 4-(3-amino-1-methoxypropyl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-amino-1-methoxypropyl)benzene-1,2-diol?
The canonical SMILES for 4-(3-amino-1-methoxypropyl)benzene-1,2-diol is COC(CCN)c1ccc(O)c(O)c1.
What is the InChIKey of 4-(3-amino-1-methoxypropyl)benzene-1,2-diol?
The InChIKey is VDKQYDUIZLZWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,12-13H,4-5,11H2,1H3.
What are the key properties of 4-(3-amino-1-methoxypropyl)benzene-1,2-diol?
4-(3-amino-1-methoxypropyl)benzene-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-methoxypropyl)benzene-1,2-diol is sourced from PubChem (CID 83831333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).