N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride

C22H28Cl2N2O — CID 17294784

IUPACN-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCNCCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C22H26N2O.2ClH/c1-23-14-7-15-24-16-21-20-11-6-5-10-19(20)12-13-22(21)25-17-18-8-3-2-4-9-18;;/h2-6,8-13,23-24H,7,14-17H2,1H3;2*1H
InChIKeySZQSDPAWZXNKCO-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.96
Rot. Bonds9

About N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride

N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 17294784) has the molecular formula C22H28Cl2N2O and a molecular weight of 407.39 g/mol. Its IUPAC name is N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
PubChem CID17294784
Molecular FormulaC22H28Cl2N2O
Molecular Weight407.39 g/mol
Exact Mass406.16
IUPAC NameN-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCNCCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C22H26N2O.2ClH/c1-23-14-7-15-24-16-21-20-11-6-5-10-19(20)12-13-22(21)25-17-18-8-3-2-4-9-18;;/h2-6,8-13,23-24H,7,14-17H2,1H3;2*1H
InChIKeySZQSDPAWZXNKCO-UHFFFAOYSA-N
XLogP4.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;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

N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053595
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride (CID 17294784) is N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride is CNCCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl.
What is the InChIKey of N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is SZQSDPAWZXNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.2ClH/c1-23-14-7-15-24-16-21-20-11-6-5-10-19(20)12-13-22(21)25-17-18-8-3-2-4-9-18;;/h2-6,8-13,23-24H,7,14-17H2,1H3;2*1H.
What are the key properties of N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride?
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 407.39 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17294784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).