3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol

C19H23NO3 — CID 14551073

IUPAC3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ccccc1)CC1COc2ccccc2O1
InChIInChI=1S/C19H23NO3/c21-12-6-11-20(13-16-7-2-1-3-8-16)14-17-15-22-18-9-4-5-10-19(18)23-17/h1-5,7-10,17,21H,6,11-15H2
InChIKeyMSVPOXDJMOYMQL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.71
Rot. Bonds7

About 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol

3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol (PubChem CID 14551073) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
PubChem CID14551073
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1ccccc1)CC1COc2ccccc2O1
InChIInChI=1S/C19H23NO3/c21-12-6-11-20(13-16-7-2-1-3-8-16)14-17-15-22-18-9-4-5-10-19(18)23-17/h1-5,7-10,17,21H,6,11-15H2
InChIKeyMSVPOXDJMOYMQL-UHFFFAOYSA-N
XLogP2.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665
2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid
CID 43656423
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 60706787
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
CID 130595374
4-[2-[benzyl-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]aniline
CID 56992067
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79275960
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]butanoic acid
CID 60834755
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3-phenylpropyl)azanium
CID 7101122
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol (CID 14551073) is 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol is OCCCN(Cc1ccccc1)CC1COc2ccccc2O1.
What is the InChIKey of 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol?
The InChIKey is MSVPOXDJMOYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-12-6-11-20(13-16-7-2-1-3-8-16)14-17-15-22-18-9-4-5-10-19(18)23-17/h1-5,7-10,17,21H,6,11-15H2.
What are the key properties of 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol?
3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 14551073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).