3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol

C19H23NO3 — CID 111496963

IUPAC3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(Cc1ccc2c(c1)OCCO2)C(CCO)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-20(17(9-10-21)16-5-3-2-4-6-16)14-15-7-8-18-19(13-15)23-12-11-22-18/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyFESLDFJEIWZGNS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds6

About 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol

3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol (PubChem CID 111496963) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
PubChem CID111496963
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(Cc1ccc2c(c1)OCCO2)C(CCO)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-20(17(9-10-21)16-5-3-2-4-6-16)14-15-7-8-18-19(13-15)23-12-11-22-18/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyFESLDFJEIWZGNS-UHFFFAOYSA-N
XLogP3.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryloxy-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propan-2-ol
CID 42909807
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117039970
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
CID 64513516
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8924310

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol (CID 111496963) is 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol is CN(Cc1ccc2c(c1)OCCO2)C(CCO)c1ccccc1.
What is the InChIKey of 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol?
The InChIKey is FESLDFJEIWZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-20(17(9-10-21)16-5-3-2-4-6-16)14-15-7-8-18-19(13-15)23-12-11-22-18/h2-8,13,17,21H,9-12,14H2,1H3.
What are the key properties of 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol?
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111496963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).