N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline

C25H23NO2 — CID 126118729

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
SMILESCCOc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-2-27-25-17-12-19-8-6-7-11-23(19)24(25)18-26-20-13-15-22(16-14-20)28-21-9-4-3-5-10-21/h3-17,26H,2,18H2,1H3
InChIKeyCMUDTJINAHXNBF-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.64
Rot. Bonds7

About N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline

N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline (PubChem CID 126118729) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
PubChem CID126118729
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
SMILESCCOc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-2-27-25-17-12-19-8-6-7-11-23(19)24(25)18-26-20-13-15-22(16-14-20)28-21-9-4-3-5-10-21/h3-17,26H,2,18H2,1H3
InChIKeyCMUDTJINAHXNBF-UHFFFAOYSA-N
XLogP6.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
CID 126125026
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597
1-benzyl-2-ethoxynaphthalene
CID 12064074
N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-phenoxyaniline
CID 126122837
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
N-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methyl]-4-phenoxyaniline
CID 126128627
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline (CID 126118729) is N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline is CCOc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline?
The InChIKey is CMUDTJINAHXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-27-25-17-12-19-8-6-7-11-23(19)24(25)18-26-20-13-15-22(16-14-20)28-21-9-4-3-5-10-21/h3-17,26H,2,18H2,1H3.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline?
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline has a molecular weight of 369.46 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline is sourced from PubChem (CID 126118729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).