2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol

C17H30N2O2 — CID 61048016

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
SMILESCCN(CC)CCNC(CC)(CO)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-17(14-20,18-12-13-19(6-2)7-3)15-8-10-16(21-4)11-9-15/h8-11,18,20H,5-7,12-14H2,1-4H3
InChIKeyTWDRXARLAFGNCO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol

2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol (PubChem CID 61048016) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
PubChem CID61048016
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
SMILESCCN(CC)CCNC(CC)(CO)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-17(14-20,18-12-13-19(6-2)7-3)15-8-10-16(21-4)11-9-15/h8-11,18,20H,5-7,12-14H2,1-4H3
InChIKeyTWDRXARLAFGNCO-UHFFFAOYSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
CID 61046739
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol (CID 61048016) is 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol is CCN(CC)CCNC(CC)(CO)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol?
The InChIKey is TWDRXARLAFGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-17(14-20,18-12-13-19(6-2)7-3)15-8-10-16(21-4)11-9-15/h8-11,18,20H,5-7,12-14H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol?
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 61048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).