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

C15H23Cl2NO — CID 103787405

IUPAC3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-4-12(7-8-19)10-18-11(2)14-6-5-13(16)9-15(14)17/h5-6,9,11-12,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyAJAWCOPUFUYOSX-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.44
Rot. Bonds8

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

3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol (PubChem CID 103787405) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
PubChem CID103787405
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-3-4-12(7-8-19)10-18-11(2)14-6-5-13(16)9-15(14)17/h5-6,9,11-12,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyAJAWCOPUFUYOSX-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
CID 106114619
3-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787427
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
CID 106114744
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol (CID 103787405) is 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol?
The InChIKey is AJAWCOPUFUYOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-4-12(7-8-19)10-18-11(2)14-6-5-13(16)9-15(14)17/h5-6,9,11-12,18-19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol?
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol has a molecular weight of 304.26 g/mol, XLogP of 4.44, 8 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)ethylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103787405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).