3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline

C17H17FN2O — CID 107347751

IUPAC3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
SMILESCCOc1cccc2c1ccn2Cc1cccc(N)c1F
InChIInChI=1S/C17H17FN2O/c1-2-21-16-8-4-7-15-13(16)9-10-20(15)11-12-5-3-6-14(19)17(12)18/h3-10H,2,11,19H2,1H3
InChIKeyKLDNYLYVEFLVFJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.81
Rot. Bonds4

About 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline

3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline (PubChem CID 107347751) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
PubChem CID107347751
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
SMILESCCOc1cccc2c1ccn2Cc1cccc(N)c1F
InChIInChI=1S/C17H17FN2O/c1-2-21-16-8-4-7-15-13(16)9-10-20(15)11-12-5-3-6-14(19)17(12)18/h3-10H,2,11,19H2,1H3
InChIKeyKLDNYLYVEFLVFJ-UHFFFAOYSA-N
XLogP3.81
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
CID 83163642
2-fluoro-3-(indol-1-ylmethyl)aniline
CID 107347629
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
CID 83173603
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline?
The IUPAC name of 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline (CID 107347751) is 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline is CCOc1cccc2c1ccn2Cc1cccc(N)c1F.
What is the InChIKey of 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline?
The InChIKey is KLDNYLYVEFLVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-21-16-8-4-7-15-13(16)9-10-20(15)11-12-5-3-6-14(19)17(12)18/h3-10H,2,11,19H2,1H3.
What are the key properties of 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline?
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline has a molecular weight of 284.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 107347751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).