2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol

C17H30N2O — CID 61049233

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)12-11-18-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18,20H,5-6,11-13H2,1-4H3
InChIKeyVSDMMPMFNUONSC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.77
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol

2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 61049233) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
PubChem CID61049233
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)12-11-18-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18,20H,5-6,11-13H2,1-4H3
InChIKeyVSDMMPMFNUONSC-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol
CID 61050221
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
CID 110185768
N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 145453268
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
CID 61048021
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol (CID 61049233) is 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol is CCN(CC)CCNC(CO)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VSDMMPMFNUONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(6-2)12-11-18-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18,20H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol?
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 61049233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).