2-[(4-ethylphenyl)methoxy]-5-fluoroaniline

C15H16FNO — CID 62368174

IUPAC2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
SMILESCCc1ccc(COc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H16FNO/c1-2-11-3-5-12(6-4-11)10-18-15-8-7-13(16)9-14(15)17/h3-9H,2,10,17H2,1H3
InChIKeyQSGGHPRZETWOGW-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline

2-[(4-ethylphenyl)methoxy]-5-fluoroaniline (PubChem CID 62368174) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
PubChem CID62368174
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
SMILESCCc1ccc(COc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H16FNO/c1-2-11-3-5-12(6-4-11)10-18-15-8-7-13(16)9-14(15)17/h3-9H,2,10,17H2,1H3
InChIKeyQSGGHPRZETWOGW-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 82152628
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline (CID 62368174) is 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline is CCc1ccc(COc2ccc(F)cc2N)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline?
The InChIKey is QSGGHPRZETWOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-11-3-5-12(6-4-11)10-18-15-8-7-13(16)9-14(15)17/h3-9H,2,10,17H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline?
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline has a molecular weight of 245.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 62368174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).