2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol

C14H21NO3 — CID 102671737

IUPAC2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCC2CCOC2)ccc1O
InChIInChI=1S/C14H21NO3/c1-17-14-8-12(2-3-13(14)16)9-15-6-4-11-5-7-18-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyYDBCQTVLBVLYRA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds6

About 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol

2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol (PubChem CID 102671737) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
PubChem CID102671737
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCC2CCOC2)ccc1O
InChIInChI=1S/C14H21NO3/c1-17-14-8-12(2-3-13(14)16)9-15-6-4-11-5-7-18-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyYDBCQTVLBVLYRA-UHFFFAOYSA-N
XLogP1.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
N-[(3,4-dibromophenyl)methyl]-2-(oxolan-3-yl)ethanamine
CID 113415247
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
3-[[2-(oxolan-3-yl)ethylamino]methyl]benzamide
CID 113415251
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol (CID 102671737) is 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol is COc1cc(CNCCC2CCOC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol?
The InChIKey is YDBCQTVLBVLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-14-8-12(2-3-13(14)16)9-15-6-4-11-5-7-18-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3.
What are the key properties of 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol?
2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 102671737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).