N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride

C15H20ClNO2 — CID 20541787

IUPACN-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc2cc(OC)c(OC)cc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-4-16-10-11-5-6-12-8-14(17-2)15(18-3)9-13(12)7-11;/h5-9,16H,4,10H2,1-3H3;1H
InChIKeyZHTSGXGWSMPZFB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.39
Rot. Bonds5

About N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride

N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 20541787) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
PubChem CID20541787
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc2cc(OC)c(OC)cc2c1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-4-16-10-11-5-6-12-8-14(17-2)15(18-3)9-13(12)7-11;/h5-9,16H,4,10H2,1-3H3;1H
InChIKeyZHTSGXGWSMPZFB-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 30629580
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
4-[(6,7-dimethoxynaphthalen-2-yl)methylcarbamoyl]cubane-1-carboxylic acid
CID 167903679
[3-acetyloxy-6-[2-(ethylamino)ethyl]naphthalen-2-yl] acetate;hydrochloride
CID 70553486
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine
CID 62388608

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride (CID 20541787) is N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride is CCNCc1ccc2cc(OC)c(OC)cc2c1.Cl.
What is the InChIKey of N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is ZHTSGXGWSMPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-4-16-10-11-5-6-12-8-14(17-2)15(18-3)9-13(12)7-11;/h5-9,16H,4,10H2,1-3H3;1H.
What are the key properties of N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride?
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 20541787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).