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

C24H32Cl2N2O — CID 17294781

IUPACN',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C24H30N2O.2ClH/c1-3-26(4-2)17-16-25-18-23-22-13-9-8-12-21(22)14-15-24(23)27-19-20-10-6-5-7-11-20;;/h5-15,25H,3-4,16-19H2,1-2H3;2*1H
InChIKeyMLVRDBJGDXFZMG-UHFFFAOYSA-N
MW435.44 g/mol
LogP5.69
Rot. Bonds10

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

N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 17294781) has the molecular formula C24H32Cl2N2O and a molecular weight of 435.44 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID17294781
Molecular FormulaC24H32Cl2N2O
Molecular Weight435.44 g/mol
Exact Mass434.19
IUPAC NameN',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C24H30N2O.2ClH/c1-3-26(4-2)17-16-25-18-23-22-13-9-8-12-21(22)14-15-24(23)27-19-20-10-6-5-7-11-20;;/h5-15,25H,3-4,16-19H2,1-2H3;2*1H
InChIKeyMLVRDBJGDXFZMG-UHFFFAOYSA-N
XLogP5.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.69
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

N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine
CID 166589882
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215107
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride (CID 17294781) is N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride is CCN(CC)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl.
What is the InChIKey of N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is MLVRDBJGDXFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.2ClH/c1-3-26(4-2)17-16-25-18-23-22-13-9-8-12-21(22)14-15-24(23)27-19-20-10-6-5-7-11-20;;/h5-15,25H,3-4,16-19H2,1-2H3;2*1H.
What are the key properties of N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 435.44 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17294781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).