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

C17H17FN2O — CID 83163642

IUPAC4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
SMILESCCOc1cccc2c1ccn2Cc1ccc(N)cc1F
InChIInChI=1S/C17H17FN2O/c1-2-21-17-5-3-4-16-14(17)8-9-20(16)11-12-6-7-13(19)10-15(12)18/h3-10H,2,11,19H2,1H3
InChIKeyCGHHGJRYXIBRBG-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.81
Rot. Bonds4

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

4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline (PubChem CID 83163642) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
PubChem CID83163642
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
SMILESCCOc1cccc2c1ccn2Cc1ccc(N)cc1F
InChIInChI=1S/C17H17FN2O/c1-2-21-17-5-3-4-16-14(17)8-9-20(16)11-12-6-7-13(19)10-15(12)18/h3-10H,2,11,19H2,1H3
InChIKeyCGHHGJRYXIBRBG-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

3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
CID 83173603
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
3-[(3-bromoindol-1-yl)methyl]-4-ethoxyaniline
CID 62805551
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
CID 43341860

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline?
The IUPAC name of 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline (CID 83163642) is 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline is CCOc1cccc2c1ccn2Cc1ccc(N)cc1F.
What is the InChIKey of 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline?
The InChIKey is CGHHGJRYXIBRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-21-17-5-3-4-16-14(17)8-9-20(16)11-12-6-7-13(19)10-15(12)18/h3-10H,2,11,19H2,1H3.
What are the key properties of 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline?
4-[(4-ethoxyindol-1-yl)methyl]-3-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 4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 83163642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).