2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol

C17H29NO2 — CID 106810196

IUPAC2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
SMILESCCC(CO)(CCCOCCCc1ccccc1)NC
InChIInChI=1S/C17H29NO2/c1-3-17(15-19,18-2)12-8-14-20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,18-19H,3,7-8,11-15H2,1-2H3
InChIKeyCVXXVJAIAFKQPM-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.78
Rot. Bonds11

About 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol

2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol (PubChem CID 106810196) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
PubChem CID106810196
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
SMILESCCC(CO)(CCCOCCCc1ccccc1)NC
InChIInChI=1S/C17H29NO2/c1-3-17(15-19,18-2)12-8-14-20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,18-19H,3,7-8,11-15H2,1-2H3
InChIKeyCVXXVJAIAFKQPM-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
2-ethyl-2-(3-phenylpropylamino)butan-1-ol
CID 55081812
3-decoxypropylbenzene
CID 150065328
2-(hydroxymethyl)-2-(13-phenyltridecoxymethyl)propane-1,3-diol
CID 175512316
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
CID 86658311
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
8-(8-phenyloctoxy)octylbenzene
CID 56628536
10-butoxydecylbenzene
CID 151496754
4-octadecoxybutylbenzene
CID 70977182
14-propoxytetradecylbenzene
CID 126562833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol (CID 106810196) is 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol is CCC(CO)(CCCOCCCc1ccccc1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol?
The InChIKey is CVXXVJAIAFKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-17(15-19,18-2)12-8-14-20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,18-19H,3,7-8,11-15H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol is sourced from PubChem (CID 106810196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).