[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine

C17H19NO3 — CID 126484053

IUPAC[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
SMILESCOc1ccc(C2Oc3ccc(CN)cc3OC2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-17(13-4-6-14(19-2)7-5-13)21-15-8-3-12(10-18)9-16(15)20-11/h3-9,11,17H,10,18H2,1-2H3
InChIKeyJCCPEUMVZQKTGQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.05
Rot. Bonds3

About [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine

[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine (PubChem CID 126484053) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
PubChem CID126484053
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
SMILESCOc1ccc(C2Oc3ccc(CN)cc3OC2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-17(13-4-6-14(19-2)7-5-13)21-15-8-3-12(10-18)9-16(15)20-11/h3-9,11,17H,10,18H2,1-2H3
InChIKeyJCCPEUMVZQKTGQ-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine with MolForge

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Related Compounds

[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
CID 126483947
(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
[(3R)-6-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 139348032
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391958
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine (CID 126484053) is [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine is COc1ccc(C2Oc3ccc(CN)cc3OC2C)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The InChIKey is JCCPEUMVZQKTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-17(13-4-6-14(19-2)7-5-13)21-15-8-3-12(10-18)9-16(15)20-11/h3-9,11,17H,10,18H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine has a molecular weight of 285.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine is sourced from PubChem (CID 126484053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).