N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine

C19H24Cl2N2O2 — CID 4722426

IUPACN'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-22-8-3-9-23-12-14-5-7-18(19(11-14)24-2)25-13-15-4-6-16(20)17(21)10-15/h4-7,10-11,22-23H,3,8-9,12-13H2,1-2H3
InChIKeyOXJKMPVNBYJJOB-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.28
Rot. Bonds10

About N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine

N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine (PubChem CID 4722426) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
PubChem CID4722426
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC NameN'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-22-8-3-9-23-12-14-5-7-18(19(11-14)24-2)25-13-15-4-6-16(20)17(21)10-15/h4-7,10-11,22-23H,3,8-9,12-13H2,1-2H3
InChIKeyOXJKMPVNBYJJOB-UHFFFAOYSA-N
XLogP4.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
N'-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4719927
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4719413
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844
N'-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 17056925
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209792
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
1-[3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212147

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine (CID 4722426) is N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is OXJKMPVNBYJJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-22-8-3-9-23-12-14-5-7-18(19(11-14)24-2)25-13-15-4-6-16(20)17(21)10-15/h4-7,10-11,22-23H,3,8-9,12-13H2,1-2H3.
What are the key properties of N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine?
N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine has a molecular weight of 383.32 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4722426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).