3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine

C12H17NO3 — CID 117319788

IUPAC3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
SMILESCOc1cc(CCCN)c2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-14-10-7-9(3-2-4-13)12-11(8-10)15-5-6-16-12/h7-8H,2-6,13H2,1H3
InChIKeyXNXVVAVKVDCDBM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.36
Rot. Bonds4

About 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine

3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine (PubChem CID 117319788) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
PubChem CID117319788
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
SMILESCOc1cc(CCCN)c2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-14-10-7-9(3-2-4-13)12-11(8-10)15-5-6-16-12/h7-8H,2-6,13H2,1H3
InChIKeyXNXVVAVKVDCDBM-UHFFFAOYSA-N
XLogP1.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
4-(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 70645558
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383596
3-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117356330
4-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117350963
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine?
The IUPAC name of 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine (CID 117319788) is 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine?
The canonical SMILES for 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine is COc1cc(CCCN)c2c(c1)OCCO2.
What is the InChIKey of 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine?
The InChIKey is XNXVVAVKVDCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-10-7-9(3-2-4-13)12-11(8-10)15-5-6-16-12/h7-8H,2-6,13H2,1H3.
What are the key properties of 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine?
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine has a molecular weight of 223.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine is sourced from PubChem (CID 117319788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).