2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine

C12H17NO3 — CID 117319995

IUPAC2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
SMILESCOc1cc2c(cc1C(C)(C)N)OCCO2
InChIInChI=1S/C12H17NO3/c1-12(2,13)8-6-10-11(7-9(8)14-3)16-5-4-15-10/h6-7H,4-5,13H2,1-3H3
InChIKeyUGQGTAYRLHEOKX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds2

About 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine

2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine (PubChem CID 117319995) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
PubChem CID117319995
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
SMILESCOc1cc2c(cc1C(C)(C)N)OCCO2
InChIInChI=1S/C12H17NO3/c1-12(2,13)8-6-10-11(7-9(8)14-3)16-5-4-15-10/h6-7H,4-5,13H2,1-3H3
InChIKeyUGQGTAYRLHEOKX-UHFFFAOYSA-N
XLogP1.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 57422331
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine (CID 117319995) is 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine is COc1cc2c(cc1C(C)(C)N)OCCO2.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
The InChIKey is UGQGTAYRLHEOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,13)8-6-10-11(7-9(8)14-3)16-5-4-15-10/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine?
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine has a molecular weight of 223.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine is sourced from PubChem (CID 117319995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).