N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine

C20H21NO2 — CID 54795963

IUPACN-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
SMILESCOCCOc1ccccc1CNc1cccc2ccccc12
InChIInChI=1S/C20H21NO2/c1-22-13-14-23-20-12-5-3-8-17(20)15-21-19-11-6-9-16-7-2-4-10-18(16)19/h2-12,21H,13-15H2,1H3
InChIKeyRCXPOZZZIRIADK-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.48
Rot. Bonds7

About N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine

N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine (PubChem CID 54795963) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
PubChem CID54795963
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
SMILESCOCCOc1ccccc1CNc1cccc2ccccc12
InChIInChI=1S/C20H21NO2/c1-22-13-14-23-20-12-5-3-8-17(20)15-21-19-11-6-9-16-7-2-4-10-18(16)19/h2-12,21H,13-15H2,1H3
InChIKeyRCXPOZZZIRIADK-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.48
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-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39399682
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
CID 39425332
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606
N-[[2-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 99783351
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
CID 66542705
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine (CID 54795963) is N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine is COCCOc1ccccc1CNc1cccc2ccccc12.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine?
The InChIKey is RCXPOZZZIRIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-13-14-23-20-12-5-3-8-17(20)15-21-19-11-6-9-16-7-2-4-10-18(16)19/h2-12,21H,13-15H2,1H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine?
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine has a molecular weight of 307.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine is sourced from PubChem (CID 54795963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).