4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline

C16H14ClFN2 — CID 63505975

IUPAC4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
SMILESFc1ccc2ccn(CCNc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H14ClFN2/c17-13-2-5-15(6-3-13)19-8-10-20-9-7-12-1-4-14(18)11-16(12)20/h1-7,9,11,19H,8,10H2
InChIKeyONCXLCCVOVFRFJ-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline

4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline (PubChem CID 63505975) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
PubChem CID63505975
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
SMILESFc1ccc2ccn(CCNc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H14ClFN2/c17-13-2-5-15(6-3-13)19-8-10-20-9-7-12-1-4-14(18)11-16(12)20/h1-7,9,11,19H,8,10H2
InChIKeyONCXLCCVOVFRFJ-UHFFFAOYSA-N
XLogP4.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
CID 62564083
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
CID 63504515
cobalt;1-ethyl-6-fluoroindole
CID 58657570
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
3-(6-fluoroindol-1-yl)propanal
CID 63040201
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
6-fluoro-1-nonylindole
CID 116619867
6-fluoro-1-pent-4-ynylindole
CID 116620040
4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
CID 62564267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline (CID 63505975) is 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline is Fc1ccc2ccn(CCNc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The InChIKey is ONCXLCCVOVFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c17-13-2-5-15(6-3-13)19-8-10-20-9-7-12-1-4-14(18)11-16(12)20/h1-7,9,11,19H,8,10H2.
What are the key properties of 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline has a molecular weight of 288.75 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline is sourced from PubChem (CID 63505975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).