N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride

C15H19Cl2NO2 — CID 90673364

IUPACN-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc2c(OC)ccc(Cl)c2c1.Cl
InChIInChI=1S/C15H18ClNO2.ClH/c1-18-8-7-17-10-11-3-4-12-13(9-11)14(16)5-6-15(12)19-2;/h3-6,9,17H,7-8,10H2,1-2H3;1H
InChIKeyGIKSPDUTKYLJGO-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.66
Rot. Bonds6

About N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride

N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 90673364) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID90673364
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC NameN-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc2c(OC)ccc(Cl)c2c1.Cl
InChIInChI=1S/C15H18ClNO2.ClH/c1-18-8-7-17-10-11-3-4-12-13(9-11)14(16)5-6-15(12)19-2;/h3-6,9,17H,7-8,10H2,1-2H3;1H
InChIKeyGIKSPDUTKYLJGO-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.66
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-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
N'-[(3-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107998990
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 90673369
N-[[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062852
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 55147209
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
2-[2-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]ethoxy]ethanol
CID 63057204

Frequently Asked Questions

What is the IUPAC name of N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride (CID 90673364) is N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1ccc2c(OC)ccc(Cl)c2c1.Cl.
What is the InChIKey of N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is GIKSPDUTKYLJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2.ClH/c1-18-8-7-17-10-11-3-4-12-13(9-11)14(16)5-6-15(12)19-2;/h3-6,9,17H,7-8,10H2,1-2H3;1H.
What are the key properties of N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 316.23 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 90673364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).