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

C35H38N2O — CID 166589882

IUPACN',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc2ccccc2c1Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C35H38N2O/c1-3-37(4-2)23-22-36-25-30-19-18-28-14-8-10-16-31(28)33(30)24-34-32-17-11-9-15-29(32)20-21-35(34)38-26-27-12-6-5-7-13-27/h5-21,36H,3-4,22-26H2,1-2H3
InChIKeySYBJJXQVPDJJBG-UHFFFAOYSA-N
MW502.70 g/mol
LogP7.59
Rot. Bonds12

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

N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine (PubChem CID 166589882) has the molecular formula C35H38N2O and a molecular weight of 502.70 g/mol. Its IUPAC name is N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine
PubChem CID166589882
Molecular FormulaC35H38N2O
Molecular Weight502.70 g/mol
Exact Mass502.30
IUPAC NameN',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc2ccccc2c1Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C35H38N2O/c1-3-37(4-2)23-22-36-25-30-19-18-28-14-8-10-16-31(28)33(30)24-34-32-17-11-9-15-29(32)20-21-35(34)38-26-27-12-6-5-7-13-27/h5-21,36H,3-4,22-26H2,1-2H3
InChIKeySYBJJXQVPDJJBG-UHFFFAOYSA-N
XLogP7.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 57.59
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',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215107
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
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

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine (CID 166589882) is N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc2ccccc2c1Cc1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is SYBJJXQVPDJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O/c1-3-37(4-2)23-22-36-25-30-19-18-28-14-8-10-16-31(28)33(30)24-34-32-17-11-9-15-29(32)20-21-35(34)38-26-27-12-6-5-7-13-27/h5-21,36H,3-4,22-26H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 502.70 g/mol, XLogP of 7.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[1-[(2-phenylmethoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 166589882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).