[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol

C15H15NO3 — CID 43714991

IUPAC[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
SMILESOCc1cccc(NCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H15NO3/c17-9-11-3-1-5-13(7-11)16-8-12-4-2-6-14-15(12)19-10-18-14/h1-7,16-17H,8-10H2
InChIKeyIETLXXNJAFVXMN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds4

About [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol

[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol (PubChem CID 43714991) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
PubChem CID43714991
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
SMILESOCc1cccc(NCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H15NO3/c17-9-11-3-1-5-13(7-11)16-8-12-4-2-6-14-15(12)19-10-18-14/h1-7,16-17H,8-10H2
InChIKeyIETLXXNJAFVXMN-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol 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-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
CID 115686476
N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine
CID 43680230
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43672051
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
5-(1,3-benzodioxol-4-ylmethylamino)-2-hydroxybenzoic acid
CID 127031137
N-(1,3-benzodioxol-4-ylmethyl)-4-propylaniline
CID 43583678
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
CID 61212473
2-(1,3-benzodioxol-4-ylmethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 107850799
N-(1,3-benzodioxol-4-ylmethyl)-3-chloro-5-fluoroaniline
CID 103818384

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol?
The IUPAC name of [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol (CID 43714991) is [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol.
What is the SMILES notation for [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol?
The canonical SMILES for [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol is OCc1cccc(NCc2cccc3c2OCO3)c1.
What is the InChIKey of [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol?
The InChIKey is IETLXXNJAFVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-9-11-3-1-5-13(7-11)16-8-12-4-2-6-14-15(12)19-10-18-14/h1-7,16-17H,8-10H2.
What are the key properties of [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol?
[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol has a molecular weight of 257.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol is sourced from PubChem (CID 43714991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).