N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

C19H27Cl3N2O — CID 17292552

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCc1ccc(OCc2ccccc2Cl)cc1.Cl.Cl
InChIInChI=1S/C19H25ClN2O.2ClH/c1-22(2)13-5-12-21-14-16-8-10-18(11-9-16)23-15-17-6-3-4-7-19(17)20;;/h3-4,6-11,21H,5,12-15H2,1-2H3;2*1H
InChIKeyCSOPXTKCMRCGCI-UHFFFAOYSA-N
MW405.80 g/mol
LogP4.80
Rot. Bonds9

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (PubChem CID 17292552) has the molecular formula C19H27Cl3N2O and a molecular weight of 405.80 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
PubChem CID17292552
Molecular FormulaC19H27Cl3N2O
Molecular Weight405.80 g/mol
Exact Mass404.12
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCc1ccc(OCc2ccccc2Cl)cc1.Cl.Cl
InChIInChI=1S/C19H25ClN2O.2ClH/c1-22(2)13-5-12-21-14-16-8-10-18(11-9-16)23-15-17-6-3-4-7-19(17)20;;/h3-4,6-11,21H,5,12-15H2,1-2H3;2*1H
InChIKeyCSOPXTKCMRCGCI-UHFFFAOYSA-N
XLogP4.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292583
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
N',N'-dibutyl-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214531
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (CID 17292552) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride is CN(C)CCCNCc1ccc(OCc2ccccc2Cl)cc1.Cl.Cl.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is CSOPXTKCMRCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O.2ClH/c1-22(2)13-5-12-21-14-16-8-10-18(11-9-16)23-15-17-6-3-4-7-19(17)20;;/h3-4,6-11,21H,5,12-15H2,1-2H3;2*1H.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 405.80 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17292552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).