3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine

C17H19NO3 — CID 3137710

IUPAC3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-19-15-5-3-2-4-14(15)13(8-9-18)12-6-7-16-17(10-12)21-11-20-16/h2-7,10,13H,8-9,11,18H2,1H3
InChIKeyFHGHTNBXSCDDCP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.90
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine

3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 3137710) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID3137710
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c1-19-15-5-3-2-4-14(15)13(8-9-18)12-6-7-16-17(10-12)21-11-20-16/h2-7,10,13H,8-9,11,18H2,1H3
InChIKeyFHGHTNBXSCDDCP-UHFFFAOYSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine (CID 3137710) is 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1C(CCN)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is FHGHTNBXSCDDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-5-3-2-4-14(15)13(8-9-18)12-6-7-16-17(10-12)21-11-20-16/h2-7,10,13H,8-9,11,18H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine?
3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 285.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 3137710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).