[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol

C16H17NO4 — CID 115686476

IUPAC[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
SMILESCOc1cc(CNc2cccc(CO)c2)cc2c1OCO2
InChIInChI=1S/C16H17NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)8-17-13-4-2-3-11(5-13)9-18/h2-7,17-18H,8-10H2,1H3
InChIKeyLPRHFQWQLBLELI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.53
Rot. Bonds5

About [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol

[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol (PubChem CID 115686476) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
PubChem CID115686476
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
SMILESCOc1cc(CNc2cccc(CO)c2)cc2c1OCO2
InChIInChI=1S/C16H17NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)8-17-13-4-2-3-11(5-13)9-18/h2-7,17-18H,8-10H2,1H3
InChIKeyLPRHFQWQLBLELI-UHFFFAOYSA-N
XLogP2.53
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
CID 43714991
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanylaniline
CID 115585072
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
6-fluoro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyridin-2-amine
CID 116813065
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
CID 23734124
3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115745067
[2-fluoro-4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]phenyl]methanol
CID 47627014
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 103528019
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol
CID 10361113
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 115581271

Frequently Asked Questions

What is the IUPAC name of [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol (CID 115686476) is [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol is COc1cc(CNc2cccc(CO)c2)cc2c1OCO2.
What is the InChIKey of [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol?
The InChIKey is LPRHFQWQLBLELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-14-6-12(7-15-16(14)21-10-20-15)8-17-13-4-2-3-11(5-13)9-18/h2-7,17-18H,8-10H2,1H3.
What are the key properties of [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol?
[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 115686476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).