2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride

C17H23ClN2O2 — CID 74379261

IUPAC2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc2cc(C(C)=NOCCN(C)C)ccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-13(18-21-10-9-19(2)3)14-5-6-16-12-17(20-4)8-7-15(16)11-14;/h5-8,11-12H,9-10H2,1-4H3;1H
InChIKeyQDAGMTUADQGMGH-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.57
Rot. Bonds6

About 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride

2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 74379261) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID74379261
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc2cc(C(C)=NOCCN(C)C)ccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-13(18-21-10-9-19(2)3)14-5-6-16-12-17(20-4)8-7-15(16)11-14;/h5-8,11-12H,9-10H2,1-4H3;1H
InChIKeyQDAGMTUADQGMGH-UHFFFAOYSA-N
XLogP3.57
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
CID 24983335
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 6914396
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-1-(6-methoxynaphthalen-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 43005008
1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine
CID 2803437
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid
CID 87578431
1-(4-methoxyphenyl)-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
CID 140553290
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride (CID 74379261) is 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride is COc1ccc2cc(C(C)=NOCCN(C)C)ccc2c1.Cl.
What is the InChIKey of 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is QDAGMTUADQGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-13(18-21-10-9-19(2)3)14-5-6-16-12-17(20-4)8-7-15(16)11-14;/h5-8,11-12H,9-10H2,1-4H3;1H.
What are the key properties of 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 74379261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).