4-ethoxy-N-(naphthalen-1-ylmethyl)aniline

C19H19NO — CID 964344

IUPAC4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-2-21-18-12-10-17(11-13-18)20-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-13,20H,2,14H2,1H3
InChIKeyATFZDHNVTGYFCQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.85
Rot. Bonds5

About 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline

4-ethoxy-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 964344) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
PubChem CID964344
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-2-21-18-12-10-17(11-13-18)20-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-13,20H,2,14H2,1H3
InChIKeyATFZDHNVTGYFCQ-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
3-[(4-ethoxyanilino)methyl]-2-fluorobenzonitrile
CID 103913700
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline (CID 964344) is 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline is CCOc1ccc(NCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is ATFZDHNVTGYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-21-18-12-10-17(11-13-18)20-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-13,20H,2,14H2,1H3.
What are the key properties of 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline?
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 277.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 964344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).