2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol

C12H19NO3 — CID 107230613

IUPAC2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO3/c14-5-7-16-6-4-13-9-11-2-1-3-12(8-11)10-15/h1-3,8,13-15H,4-7,9-10H2
InChIKeySKKVQOFZHRTVEO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.28
Rot. Bonds8

About 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol

2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol (PubChem CID 107230613) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
PubChem CID107230613
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO3/c14-5-7-16-6-4-13-9-11-2-1-3-12(8-11)10-15/h1-3,8,13-15H,4-7,9-10H2
InChIKeySKKVQOFZHRTVEO-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
CID 107230478
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzonitrile
CID 103992538
2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
CID 28727255
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 103992655
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
4-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230565

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol (CID 107230613) is 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol is OCCOCCNCc1cccc(CO)c1.
What is the InChIKey of 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol?
The InChIKey is SKKVQOFZHRTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-5-7-16-6-4-13-9-11-2-1-3-12(8-11)10-15/h1-3,8,13-15H,4-7,9-10H2.
What are the key properties of 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol?
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 107230613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).