4-ethoxy-N-[(2-ethylphenyl)methyl]aniline

C17H21NO — CID 62391033

IUPAC4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2ccccc2CC)cc1
InChIInChI=1S/C17H21NO/c1-3-14-7-5-6-8-15(14)13-18-16-9-11-17(12-10-16)19-4-2/h5-12,18H,3-4,13H2,1-2H3
InChIKeyFWZFXEHSGLBCOL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.26
Rot. Bonds6

About 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline

4-ethoxy-N-[(2-ethylphenyl)methyl]aniline (PubChem CID 62391033) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
PubChem CID62391033
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2ccccc2CC)cc1
InChIInChI=1S/C17H21NO/c1-3-14-7-5-6-8-15(14)13-18-16-9-11-17(12-10-16)19-4-2/h5-12,18H,3-4,13H2,1-2H3
InChIKeyFWZFXEHSGLBCOL-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.26
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-(naphthalen-1-ylmethyl)aniline
CID 964344
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
3-[(4-ethoxyanilino)methyl]-2-fluorobenzonitrile
CID 103913700
4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
4-ethoxy-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43234695
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline?
The IUPAC name of 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline (CID 62391033) is 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline is CCOc1ccc(NCc2ccccc2CC)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline?
The InChIKey is FWZFXEHSGLBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14-7-5-6-8-15(14)13-18-16-9-11-17(12-10-16)19-4-2/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline?
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-ethylphenyl)methyl]aniline is sourced from PubChem (CID 62391033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).