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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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).