2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol

C13H21ClN2O — CID 62643807

IUPAC2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
SMILESCNC(CCN(C)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-15-13(7-8-16(2)9-10-17)11-3-5-12(14)6-4-11/h3-6,13,15,17H,7-10H2,1-2H3
InChIKeyWKPOWEMQFLNZFJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.91
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol

2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol (PubChem CID 62643807) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
PubChem CID62643807
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
SMILESCNC(CCN(C)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-15-13(7-8-16(2)9-10-17)11-3-5-12(14)6-4-11/h3-6,13,15,17H,7-10H2,1-2H3
InChIKeyWKPOWEMQFLNZFJ-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79859395
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62644722
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62643334
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol?
The IUPAC name of 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol (CID 62643807) is 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol is CNC(CCN(C)CCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol?
The InChIKey is WKPOWEMQFLNZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-15-13(7-8-16(2)9-10-17)11-3-5-12(14)6-4-11/h3-6,13,15,17H,7-10H2,1-2H3.
What are the key properties of 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol?
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol has a molecular weight of 256.78 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol is sourced from PubChem (CID 62643807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).