2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol

C17H30N2O — CID 62258100

IUPAC2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCCN(CCO)CC(C)(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-19(11-12-20)14-17(4,13-18-15(2)3)16-9-7-6-8-10-16/h6-10,15,18,20H,5,11-14H2,1-4H3
InChIKeyWNNOQCNMLJMEAI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.26
Rot. Bonds9

About 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol

2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol (PubChem CID 62258100) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol
PubChem CID62258100
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCCN(CCO)CC(C)(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-19(11-12-20)14-17(4,13-18-15(2)3)16-9-7-6-8-10-16/h6-10,15,18,20H,5,11-14H2,1-4H3
InChIKeyWNNOQCNMLJMEAI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclopropyl)amino)-2-azaspiro[3.3]heptan-2-yl)ethanol
CID 134468925
2-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]ethanol
CID 134468943
2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
1-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 139598047
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
CID 122649223
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
CID 134468924
2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
Diethyl-(2-{2-[(1-phenyl-cyclopentylmethyl)-amino]-ethoxy}-ethyl)-amine
CID 15105209

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol (CID 62258100) is 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol is CCN(CCO)CC(C)(CNC(C)C)c1ccccc1.
What is the InChIKey of 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The InChIKey is WNNOQCNMLJMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(11-12-20)14-17(4,13-18-15(2)3)16-9-7-6-8-10-16/h6-10,15,18,20H,5,11-14H2,1-4H3.
What are the key properties of 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol?
2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol is sourced from PubChem (CID 62258100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).