2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol

C15H26N2O2 — CID 55099134

IUPAC2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)CCO)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O2/c1-13-3-5-14(6-4-13)15(16-2)7-8-17(9-11-18)10-12-19/h3-6,15-16,18-19H,7-12H2,1-2H3
InChIKeyTZQBUOVCGCUFOX-UHFFFAOYSA-N
MW266.38 g/mol
LogP0.93
Rot. Bonds9

About 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol

2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol (PubChem CID 55099134) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
PubChem CID55099134
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
SMILESCNC(CCN(CCO)CCO)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O2/c1-13-3-5-14(6-4-13)15(16-2)7-8-17(9-11-18)10-12-19/h3-6,15-16,18-19H,7-12H2,1-2H3
InChIKeyTZQBUOVCGCUFOX-UHFFFAOYSA-N
XLogP0.93
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol (CID 55099134) is 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol is CNC(CCN(CCO)CCO)c1ccc(C)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
The InChIKey is TZQBUOVCGCUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13-3-5-14(6-4-13)15(16-2)7-8-17(9-11-18)10-12-19/h3-6,15-16,18-19H,7-12H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol has a molecular weight of 266.38 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol is sourced from PubChem (CID 55099134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).