2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol

C14H22Cl2N2O2 — CID 174912165

IUPAC2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol
SMILESCCON(CCO)CCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2O2/c1-2-20-18(8-9-19)7-3-6-17-11-12-4-5-13(15)14(16)10-12/h4-5,10,17,19H,2-3,6-9,11H2,1H3
InChIKeyGYVQJUQPHMOBHS-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.72
Rot. Bonds10

About 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol

2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol (PubChem CID 174912165) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol
PubChem CID174912165
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol
SMILESCCON(CCO)CCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2O2/c1-2-20-18(8-9-19)7-3-6-17-11-12-4-5-13(15)14(16)10-12/h4-5,10,17,19H,2-3,6-9,11H2,1H3
InChIKeyGYVQJUQPHMOBHS-UHFFFAOYSA-N
XLogP2.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
3-[2-[(3,4-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649163
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol (CID 174912165) is 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol is CCON(CCO)CCCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol?
The InChIKey is GYVQJUQPHMOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2/c1-2-20-18(8-9-19)7-3-6-17-11-12-4-5-13(15)14(16)10-12/h4-5,10,17,19H,2-3,6-9,11H2,1H3.
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol?
2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol has a molecular weight of 321.25 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol is sourced from PubChem (CID 174912165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).