3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol

C16H25Cl2NO — CID 106114619

IUPAC3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-3-5-12(8-9-20)11-19-16(4-2)14-7-6-13(17)10-15(14)18/h6-7,10,12,16,19-20H,3-5,8-9,11H2,1-2H3
InChIKeyMHFYOYROQPKOKL-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.83
Rot. Bonds9

About 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol

3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol (PubChem CID 106114619) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
PubChem CID106114619
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-3-5-12(8-9-20)11-19-16(4-2)14-7-6-13(17)10-15(14)18/h6-7,10,12,16,19-20H,3-5,8-9,11H2,1-2H3
InChIKeyMHFYOYROQPKOKL-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
3-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787427
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106144506
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol (CID 106114619) is 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol?
The InChIKey is MHFYOYROQPKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-3-5-12(8-9-20)11-19-16(4-2)14-7-6-13(17)10-15(14)18/h6-7,10,12,16,19-20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol?
3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol has a molecular weight of 318.29 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol is sourced from PubChem (CID 106114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).