3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

C14H21NO4 — CID 107268212

IUPAC3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cccc(CNCC2(O)CCOC2C)c1O
InChIInChI=1S/C14H21NO4/c1-10-14(17,6-7-19-10)9-15-8-11-4-3-5-12(18-2)13(11)16/h3-5,10,15-17H,6-9H2,1-2H3
InChIKeyOBDGPBVOEZQIGP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.03
Rot. Bonds5

About 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268212) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268212
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCOc1cccc(CNCC2(O)CCOC2C)c1O
InChIInChI=1S/C14H21NO4/c1-10-14(17,6-7-19-10)9-15-8-11-4-3-5-12(18-2)13(11)16/h3-5,10,15-17H,6-9H2,1-2H3
InChIKeyOBDGPBVOEZQIGP-UHFFFAOYSA-N
XLogP1.03
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268154
3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100239

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268212) is 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is COc1cccc(CNCC2(O)CCOC2C)c1O.
What is the InChIKey of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is OBDGPBVOEZQIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-14(17,6-7-19-10)9-15-8-11-4-3-5-12(18-2)13(11)16/h3-5,10,15-17H,6-9H2,1-2H3.
What are the key properties of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 267.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).