N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine

C17H24N2O — CID 81055908

IUPACN'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
SMILESCCOCCN(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-3-20-11-10-19(2)13-17(18)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,3,10-11,13,18H2,1-2H3
InChIKeyOFYOPPKQBRGAIA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.81
Rot. Bonds7

About N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine (PubChem CID 81055908) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
PubChem CID81055908
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
SMILESCCOCCN(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-3-20-11-10-19(2)13-17(18)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,3,10-11,13,18H2,1-2H3
InChIKeyOFYOPPKQBRGAIA-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.81
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

3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
CID 43295722
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine (CID 81055908) is N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine is CCOCCN(C)CC(N)c1ccc2ccccc2c1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine?
The InChIKey is OFYOPPKQBRGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-20-11-10-19(2)13-17(18)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,3,10-11,13,18H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 81055908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).