N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline

C15H17FN2O — CID 66418425

IUPACN-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1ccccc1N
InChIInChI=1S/C15H17FN2O/c1-2-19-15-9-12(16)7-8-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,2,10,17H2,1H3
InChIKeyFVZRJEMBUQFQLK-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.42
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline

N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline (PubChem CID 66418425) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
PubChem CID66418425
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1ccccc1N
InChIInChI=1S/C15H17FN2O/c1-2-19-15-9-12(16)7-8-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,2,10,17H2,1H3
InChIKeyFVZRJEMBUQFQLK-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline (CID 66418425) is N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is FVZRJEMBUQFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-19-15-9-12(16)7-8-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,2,10,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline?
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 260.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 66418425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).