(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride

C19H25ClN2O2 — CID 24983335

IUPAC(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
SMILESCOc1ccc2cc(/C(C)=N/OCCN3CCCC3)ccc2c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15(20-23-12-11-21-9-3-4-10-21)16-5-6-18-14-19(22-2)8-7-17(18)13-16;/h5-8,13-14H,3-4,9-12H2,1-2H3;1H/b20-15+;
InChIKeyGUWMQEUWBPJTNQ-QMGGKDRNSA-N
MW348.87 g/mol
LogP4.11
Rot. Bonds6

About (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride

(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride (PubChem CID 24983335) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride.

Molecular Properties

Compound Name(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
PubChem CID24983335
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
SMILESCOc1ccc2cc(/C(C)=N/OCCN3CCCC3)ccc2c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15(20-23-12-11-21-9-3-4-10-21)16-5-6-18-14-19(22-2)8-7-17(18)13-16;/h5-8,13-14H,3-4,9-12H2,1-2H3;1H/b20-15+;
InChIKeyGUWMQEUWBPJTNQ-QMGGKDRNSA-N
XLogP4.11
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.11
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

2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
CID 74379261
(E)-1-(6-methoxynaphthalen-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 43005008
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
1-[(6-methoxynaphthalen-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416275
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
CID 46231083
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The IUPAC name of (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride (CID 24983335) is (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride.
What is the SMILES notation for (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The canonical SMILES for (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride is COc1ccc2cc(/C(C)=N/OCCN3CCCC3)ccc2c1.Cl.
What is the InChIKey of (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The InChIKey is GUWMQEUWBPJTNQ-QMGGKDRNSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15(20-23-12-11-21-9-3-4-10-21)16-5-6-18-14-19(22-2)8-7-17(18)13-16;/h5-8,13-14H,3-4,9-12H2,1-2H3;1H/b20-15+;.
What are the key properties of (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride is sourced from PubChem (CID 24983335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).