3-[(3-ethylphenoxy)methyl]-2-fluoroaniline

C15H16FNO — CID 107347892

IUPAC3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
SMILESCCc1cccc(OCc2cccc(N)c2F)c1
InChIInChI=1S/C15H16FNO/c1-2-11-5-3-7-13(9-11)18-10-12-6-4-8-14(17)15(12)16/h3-9H,2,10,17H2,1H3
InChIKeyVMXQXIAXQGSCRU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.55
Rot. Bonds4

About 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline

3-[(3-ethylphenoxy)methyl]-2-fluoroaniline (PubChem CID 107347892) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
PubChem CID107347892
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
SMILESCCc1cccc(OCc2cccc(N)c2F)c1
InChIInChI=1S/C15H16FNO/c1-2-11-5-3-7-13(9-11)18-10-12-6-4-8-14(17)15(12)16/h3-9H,2,10,17H2,1H3
InChIKeyVMXQXIAXQGSCRU-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

3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline?
The IUPAC name of 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline (CID 107347892) is 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline?
The canonical SMILES for 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline is CCc1cccc(OCc2cccc(N)c2F)c1.
What is the InChIKey of 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline?
The InChIKey is VMXQXIAXQGSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-11-5-3-7-13(9-11)18-10-12-6-4-8-14(17)15(12)16/h3-9H,2,10,17H2,1H3.
What are the key properties of 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline?
3-[(3-ethylphenoxy)methyl]-2-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 3-[(3-ethylphenoxy)methyl]-2-fluoroaniline is sourced from PubChem (CID 107347892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).