2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol

C14H23NO2 — CID 111121773

IUPAC2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
SMILESCc1cccc(C)c1OCCCN(C)CCO
InChIInChI=1S/C14H23NO2/c1-12-6-4-7-13(2)14(12)17-11-5-8-15(3)9-10-16/h4,6-7,16H,5,8-11H2,1-3H3
InChIKeyHQKWTCDJNJJDEM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol

2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol (PubChem CID 111121773) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
PubChem CID111121773
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
SMILESCc1cccc(C)c1OCCCN(C)CCO
InChIInChI=1S/C14H23NO2/c1-12-6-4-7-13(2)14(12)17-11-5-8-15(3)9-10-16/h4,6-7,16H,5,8-11H2,1-3H3
InChIKeyHQKWTCDJNJJDEM-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.00
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-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol
CID 2276636
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772075
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 60686608
3-[3-[2-hydroxyethyl(methyl)amino]propoxy]benzoic acid
CID 20987555
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
1,3-dimethyl-2-propoxybenzene
CID 579040
2-decoxy-1,3-dimethylbenzene
CID 83057478

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol?
The IUPAC name of 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol (CID 111121773) is 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol.
What is the SMILES notation for 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol?
The canonical SMILES for 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol is Cc1cccc(C)c1OCCCN(C)CCO.
What is the InChIKey of 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol?
The InChIKey is HQKWTCDJNJJDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-6-4-7-13(2)14(12)17-11-5-8-15(3)9-10-16/h4,6-7,16H,5,8-11H2,1-3H3.
What are the key properties of 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol?
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol is sourced from PubChem (CID 111121773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).