4-[(2-methoxypropylamino)methyl]benzene-1,3-diol

C11H17NO3 — CID 102696377

IUPAC4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
SMILESCOC(C)CNCc1ccc(O)cc1O
InChIInChI=1S/C11H17NO3/c1-8(15-2)6-12-7-9-3-4-10(13)5-11(9)14/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyKOCREDVSQHQIAV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.22
Rot. Bonds5

About 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol

4-[(2-methoxypropylamino)methyl]benzene-1,3-diol (PubChem CID 102696377) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
PubChem CID102696377
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
SMILESCOC(C)CNCc1ccc(O)cc1O
InChIInChI=1S/C11H17NO3/c1-8(15-2)6-12-7-9-3-4-10(13)5-11(9)14/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyKOCREDVSQHQIAV-UHFFFAOYSA-N
XLogP1.22
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
4-[[(2-hydroxy-4-methylpentyl)amino]methyl]benzene-1,3-diol
CID 113232260
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
4-[(2,3-dihydroxypropylamino)methyl]benzene-1,3-diol
CID 66176106
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]methyl]benzene-1,3-diol
CID 10687095
2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102795122
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
4-[(3-propan-2-yloxypropylamino)methyl]benzene-1,3-diol
CID 28726669
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
3-methoxy-4-[(2-methoxypropylamino)methyl]aniline
CID 107208570

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol (CID 102696377) is 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol is COC(C)CNCc1ccc(O)cc1O.
What is the InChIKey of 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol?
The InChIKey is KOCREDVSQHQIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(15-2)6-12-7-9-3-4-10(13)5-11(9)14/h3-5,8,12-14H,6-7H2,1-2H3.
What are the key properties of 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol?
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxypropylamino)methyl]benzene-1,3-diol is sourced from PubChem (CID 102696377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).