2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol

C17H29NO3 — CID 106810358

IUPAC2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccccc1OCCCC(CC)(CO)NC
InChIInChI=1S/C17H29NO3/c1-4-12-20-15-9-6-7-10-16(15)21-13-8-11-17(5-2,14-19)18-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3
InChIKeyOLSXKYIXMZHESZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.99
Rot. Bonds11

About 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol

2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol (PubChem CID 106810358) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
PubChem CID106810358
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
SMILESCCCOc1ccccc1OCCCC(CC)(CO)NC
InChIInChI=1S/C17H29NO3/c1-4-12-20-15-9-6-7-10-16(15)21-13-8-11-17(5-2,14-19)18-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3
InChIKeyOLSXKYIXMZHESZ-UHFFFAOYSA-N
XLogP2.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
CID 106810724
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
CID 106810196
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
2-ethyl-2-(methylamino)-5-octoxypentan-1-ol
CID 106810250
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol (CID 106810358) is 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol is CCCOc1ccccc1OCCCC(CC)(CO)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol?
The InChIKey is OLSXKYIXMZHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-12-20-15-9-6-7-10-16(15)21-13-8-11-17(5-2,14-19)18-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol is sourced from PubChem (CID 106810358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).