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

C22H28Cl2N2O — CID 17294780

IUPACN',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C22H26N2O.2ClH/c1-24(2)15-14-23-16-21-20-11-7-6-10-19(20)12-13-22(21)25-17-18-8-4-3-5-9-18;;/h3-13,23H,14-17H2,1-2H3;2*1H
InChIKeyQDEWNLLMAKBWKA-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.91
Rot. Bonds8

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

N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 17294780) has the molecular formula C22H28Cl2N2O and a molecular weight of 407.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID17294780
Molecular FormulaC22H28Cl2N2O
Molecular Weight407.39 g/mol
Exact Mass406.16
IUPAC NameN',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C22H26N2O.2ClH/c1-24(2)15-14-23-16-21-20-11-7-6-10-19(20)12-13-22(21)25-17-18-8-4-3-5-9-18;;/h3-13,23H,14-17H2,1-2H3;2*1H
InChIKeyQDEWNLLMAKBWKA-UHFFFAOYSA-N
XLogP4.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.91
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-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
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
N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine
CID 166589882
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2972927
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
CID 17294777

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride (CID 17294780) is N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride is CN(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.Cl.
What is the InChIKey of N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is QDEWNLLMAKBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.2ClH/c1-24(2)15-14-23-16-21-20-11-7-6-10-19(20)12-13-22(21)25-17-18-8-4-3-5-9-18;;/h3-13,23H,14-17H2,1-2H3;2*1H.
What are the key properties of N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride?
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 407.39 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17294780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).