1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine

C12H17NO3 — CID 117319889

IUPAC1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
SMILESCOc1ccc2c(c1CC(C)N)OCCO2
InChIInChI=1S/C12H17NO3/c1-8(13)7-9-10(14-2)3-4-11-12(9)16-6-5-15-11/h3-4,8H,5-7,13H2,1-2H3
InChIKeyBNHOTAKYGBBQTP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.36
Rot. Bonds3

About 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine

1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine (PubChem CID 117319889) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
PubChem CID117319889
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
SMILESCOc1ccc2c(c1CC(C)N)OCCO2
InChIInChI=1S/C12H17NO3/c1-8(13)7-9-10(14-2)3-4-11-12(9)16-6-5-15-11/h3-4,8H,5-7,13H2,1-2H3
InChIKeyBNHOTAKYGBBQTP-UHFFFAOYSA-N
XLogP1.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CID 84778202
1-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-2-amine
CID 117432311
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
1-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
CID 117431271
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 131600341
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
2-amino-2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid
CID 117385402
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
2-amino-3-(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117430623
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol
CID 11130179

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine (CID 117319889) is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine is COc1ccc2c(c1CC(C)N)OCCO2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine?
The InChIKey is BNHOTAKYGBBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(13)7-9-10(14-2)3-4-11-12(9)16-6-5-15-11/h3-4,8H,5-7,13H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine?
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine has a molecular weight of 223.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine is sourced from PubChem (CID 117319889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).