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

C12H18Cl2N2O — CID 17214269

IUPAC2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c13-11-3-2-10(8-12(11)14)9-16-5-1-4-15-6-7-17/h2-3,8,15-17H,1,4-7,9H2
InChIKeyVJNZEFWAMRRXDU-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.06
Rot. Bonds8

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

2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol (PubChem CID 17214269) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
PubChem CID17214269
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c13-11-3-2-10(8-12(11)14)9-16-5-1-4-15-6-7-17/h2-3,8,15-17H,1,4-7,9H2
InChIKeyVJNZEFWAMRRXDU-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
3-[2-[(3,4-dichlorophenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649163
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844
2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol
CID 174912165
N-[(3,4-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694162
4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
CID 171065990
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol (CID 17214269) is 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol is OCCNCCCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol?
The InChIKey is VJNZEFWAMRRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c13-11-3-2-10(8-12(11)14)9-16-5-1-4-15-6-7-17/h2-3,8,15-17H,1,4-7,9H2.
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol?
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol has a molecular weight of 277.19 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol is sourced from PubChem (CID 17214269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).