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

C19H23NO4 — CID 82140667

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-6-4-14(11-18(16)22-2)15(12-20)9-13-3-5-17-19(10-13)24-8-7-23-17/h3-6,10-11,15H,7-9,12,20H2,1-2H3
InChIKeyMXQICVUVFRCEKM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.76
Rot. Bonds6

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine (PubChem CID 82140667) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine
PubChem CID82140667
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-6-4-14(11-18(16)22-2)15(12-20)9-13-3-5-17-19(10-13)24-8-7-23-17/h3-6,10-11,15H,7-9,12,20H2,1-2H3
InChIKeyMXQICVUVFRCEKM-UHFFFAOYSA-N
XLogP2.76
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 82140141
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973891
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
(1S,2S,3R)-4-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol
CID 102056207
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
4-[3-amino-2-(1,3-benzodioxol-5-yl)propyl]-2-ethoxyphenol
CID 83973932
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107707
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine (CID 82140667) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is MXQICVUVFRCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-21-16-6-4-14(11-18(16)22-2)15(12-20)9-13-3-5-17-19(10-13)24-8-7-23-17/h3-6,10-11,15H,7-9,12,20H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 329.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 82140667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).