3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline

C19H19NO2 — CID 23769843

IUPAC3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO2/c1-21-18-11-10-16(12-19(18)22-2)20-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12,20H,13H2,1-2H3
InChIKeyWAANZPLNWMMHGZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.47
Rot. Bonds5

About 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline

3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 23769843) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
PubChem CID23769843
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO2/c1-21-18-11-10-16(12-19(18)22-2)20-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12,20H,13H2,1-2H3
InChIKeyWAANZPLNWMMHGZ-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-3,4-dimethoxyaniline
CID 60962379
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
1-(3,4-dimethoxyphenyl)-3-(3-naphthalen-1-ylpropyl)thiourea
CID 100757098
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3,4-dimethoxyaniline
CID 66800170
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline (CID 23769843) is 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline is COc1ccc(NCc2cccc3ccccc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is WAANZPLNWMMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-18-11-10-16(12-19(18)22-2)20-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12,20H,13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline?
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 293.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 23769843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).