[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine

C16H17NO4 — CID 65338592

IUPAC[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc3c(c2)OCO3)cc1CN
InChIInChI=1S/C16H17NO4/c1-18-14-4-2-11(6-12(14)8-17)9-19-13-3-5-15-16(7-13)21-10-20-15/h2-7H,8-10,17H2,1H3
InChIKeyLXHRONVDQNURLJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.46
Rot. Bonds5

About [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine

[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine (PubChem CID 65338592) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
PubChem CID65338592
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc3c(c2)OCO3)cc1CN
InChIInChI=1S/C16H17NO4/c1-18-14-4-2-11(6-12(14)8-17)9-19-13-3-5-15-16(7-13)21-10-20-15/h2-7H,8-10,17H2,1H3
InChIKeyLXHRONVDQNURLJ-UHFFFAOYSA-N
XLogP2.46
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]methylidenehydrazine
CID 168529757
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine (CID 65338592) is [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine is COc1ccc(COc2ccc3c(c2)OCO3)cc1CN.
What is the InChIKey of [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine?
The InChIKey is LXHRONVDQNURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-18-14-4-2-11(6-12(14)8-17)9-19-13-3-5-15-16(7-13)21-10-20-15/h2-7H,8-10,17H2,1H3.
What are the key properties of [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine?
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).