2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride

C19H26Cl4N2O2 — CID 17214038

IUPAC2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H24Cl2N2O2.2ClH/c20-17-5-4-16(19(21)12-17)14-25-18-6-2-15(3-7-18)13-23-9-1-8-22-10-11-24;;/h2-7,12,22-24H,1,8-11,13-14H2;2*1H
InChIKeyJPXNKYIHQKNTCO-UHFFFAOYSA-N
MW456.24 g/mol
LogP4.48
Rot. Bonds11

About 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride

2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride (PubChem CID 17214038) has the molecular formula C19H26Cl4N2O2 and a molecular weight of 456.24 g/mol. Its IUPAC name is 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
PubChem CID17214038
Molecular FormulaC19H26Cl4N2O2
Molecular Weight456.24 g/mol
Exact Mass454.07
IUPAC Name2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H24Cl2N2O2.2ClH/c20-17-5-4-16(19(21)12-17)14-25-18-6-2-15(3-7-18)13-23-9-1-8-22-10-11-24;;/h2-7,12,22-24H,1,8-11,13-14H2;2*1H
InChIKeyJPXNKYIHQKNTCO-UHFFFAOYSA-N
XLogP4.48
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.24
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride 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

2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210398
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
2-[3-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol
CID 66537534
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride (CID 17214038) is 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride?
The InChIKey is JPXNKYIHQKNTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2.2ClH/c20-17-5-4-16(19(21)12-17)14-25-18-6-2-15(3-7-18)13-23-9-1-8-22-10-11-24;;/h2-7,12,22-24H,1,8-11,13-14H2;2*1H.
What are the key properties of 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride?
2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride has a molecular weight of 456.24 g/mol, XLogP of 4.48, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17214038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).