2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol

C13H21NO2 — CID 110908229

IUPAC2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
SMILESCc1ccccc1OCCCN(C)CCO
InChIInChI=1S/C13H21NO2/c1-12-6-3-4-7-13(12)16-11-5-8-14(2)9-10-15/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyIEXYQYHWYLXJRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds7

About 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol

2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol (PubChem CID 110908229) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
PubChem CID110908229
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
SMILESCc1ccccc1OCCCN(C)CCO
InChIInChI=1S/C13H21NO2/c1-12-6-3-4-7-13(12)16-11-5-8-14(2)9-10-15/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyIEXYQYHWYLXJRL-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
CID 52679743
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
CID 111488563
phenyl 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanesulfonate
CID 52674821
2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
CID 60685253
1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883758
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
N-(2-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869748
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol (CID 110908229) is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol is Cc1ccccc1OCCCN(C)CCO.
What is the InChIKey of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol?
The InChIKey is IEXYQYHWYLXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12-6-3-4-7-13(12)16-11-5-8-14(2)9-10-15/h3-4,6-7,15H,5,8-11H2,1-2H3.
What are the key properties of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol?
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol is sourced from PubChem (CID 110908229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).