2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol

C17H29NO3 — CID 106810528

IUPAC2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOc1ccccc1OC
InChIInChI=1S/C17H29NO3/c1-4-12-18-17(5-2,14-19)11-8-13-21-16-10-7-6-9-15(16)20-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3
InChIKeySSFFXTXYQNDKAQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.99
Rot. Bonds11

About 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol

2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol (PubChem CID 106810528) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
PubChem CID106810528
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOc1ccccc1OC
InChIInChI=1S/C17H29NO3/c1-4-12-18-17(5-2,14-19)11-8-13-21-16-10-7-6-9-15(16)20-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3
InChIKeySSFFXTXYQNDKAQ-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-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64803042
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
CID 106810644

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol (CID 106810528) is 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCOc1ccccc1OC.
What is the InChIKey of 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol?
The InChIKey is SSFFXTXYQNDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-12-18-17(5-2,14-19)11-8-13-21-16-10-7-6-9-15(16)20-3/h6-7,9-10,18-19H,4-5,8,11-14H2,1-3H3.
What are the key properties of 2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol?
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)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-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106810528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).