2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol

C18H31NO2 — CID 106810139

IUPAC2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
SMILESCCCc1ccc(OCCCC(CC)(CO)NCC)cc1
InChIInChI=1S/C18H31NO2/c1-4-8-16-9-11-17(12-10-16)21-14-7-13-18(5-2,15-20)19-6-3/h9-12,19-20H,4-8,13-15H2,1-3H3
InChIKeyPEGCDKUDECCKSU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.55
Rot. Bonds11

About 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol

2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol (PubChem CID 106810139) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
PubChem CID106810139
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
SMILESCCCc1ccc(OCCCC(CC)(CO)NCC)cc1
InChIInChI=1S/C18H31NO2/c1-4-8-16-9-11-17(12-10-16)21-14-7-13-18(5-2,15-20)19-6-3/h9-12,19-20H,4-8,13-15H2,1-3H3
InChIKeyPEGCDKUDECCKSU-UHFFFAOYSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.55
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

5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
2-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
1-nonoxy-4-propylbenzene
CID 118632119
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
2,2-dimethyl-4-(4-propylphenoxy)butanethioamide
CID 65247685
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol (CID 106810139) is 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol is CCCc1ccc(OCCCC(CC)(CO)NCC)cc1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol?
The InChIKey is PEGCDKUDECCKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-8-16-9-11-17(12-10-16)21-14-7-13-18(5-2,15-20)19-6-3/h9-12,19-20H,4-8,13-15H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol?
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol is sourced from PubChem (CID 106810139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).