2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol

C16H27NO3 — CID 115613860

IUPAC2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO3/c1-14-11-15(2)13-16(12-14)20-9-4-5-17(6-8-18)7-10-19-3/h11-13,18H,4-10H2,1-3H3
InChIKeyQODKZHWYDOEGNS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.01
Rot. Bonds10

About 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol

2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol (PubChem CID 115613860) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
PubChem CID115613860
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO3/c1-14-11-15(2)13-16(12-14)20-9-4-5-17(6-8-18)7-10-19-3/h11-13,18H,4-10H2,1-3H3
InChIKeyQODKZHWYDOEGNS-UHFFFAOYSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902469
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
2-[2-(3,5-dimethylphenoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618194
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
CID 106801581
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
2-[3-(3,5-dimethylphenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275496
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol (CID 115613860) is 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)CCCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is QODKZHWYDOEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14-11-15(2)13-16(12-14)20-9-4-5-17(6-8-18)7-10-19-3/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol?
2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 115613860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).