N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride

C18H26Cl2N2O — CID 17295026

IUPACN-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCNCCCNCc1cccc(OCc2ccccc2)c1.Cl.Cl
InChIInChI=1S/C18H24N2O.2ClH/c1-19-11-6-12-20-14-17-9-5-10-18(13-17)21-15-16-7-3-2-4-8-16;;/h2-5,7-10,13,19-20H,6,11-12,14-15H2,1H3;2*1H
InChIKeyGEINHMPCALAKAW-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.81
Rot. Bonds9

About N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride

N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 17295026) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
PubChem CID17295026
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC NameN-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCNCCCNCc1cccc(OCc2ccccc2)c1.Cl.Cl
InChIInChI=1S/C18H24N2O.2ClH/c1-19-11-6-12-20-14-17-9-5-10-18(13-17)21-15-16-7-3-2-4-8-16;;/h2-5,7-10,13,19-20H,6,11-12,14-15H2,1H3;2*1H
InChIKeyGEINHMPCALAKAW-UHFFFAOYSA-N
XLogP3.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17055087
N',N'-dibutyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride (CID 17295026) is N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride is CNCCCNCc1cccc(OCc2ccccc2)c1.Cl.Cl.
What is the InChIKey of N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is GEINHMPCALAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.2ClH/c1-19-11-6-12-20-14-17-9-5-10-18(13-17)21-15-16-7-3-2-4-8-16;;/h2-5,7-10,13,19-20H,6,11-12,14-15H2,1H3;2*1H.
What are the key properties of N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 357.33 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).