2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol

C13H21ClN2O — CID 62642938

IUPAC2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(9-10-17)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,17H,2,7-10,15H2,1H3
InChIKeyZCZVTKCKHUHWFZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.04
Rot. Bonds7

About 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol

2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol (PubChem CID 62642938) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
PubChem CID62642938
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(9-10-17)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,17H,2,7-10,15H2,1H3
InChIKeyZCZVTKCKHUHWFZ-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
CID 114059481
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486461
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol (CID 62642938) is 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol is CCN(CCO)CCC(N)c1ccccc1Cl.
What is the InChIKey of 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol?
The InChIKey is ZCZVTKCKHUHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-16(9-10-17)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,17H,2,7-10,15H2,1H3.
What are the key properties of 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol?
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol has a molecular weight of 256.78 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol is sourced from PubChem (CID 62642938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).