2-fluoro-N-(2-indol-1-ylethyl)aniline

C16H15FN2 — CID 62562125

IUPAC2-fluoro-N-(2-indol-1-ylethyl)aniline
SMILESFc1ccccc1NCCn1ccc2ccccc21
InChIInChI=1S/C16H15FN2/c17-14-6-2-3-7-15(14)18-10-12-19-11-9-13-5-1-4-8-16(13)19/h1-9,11,18H,10,12H2
InChIKeyVJFBFOKQCGWGDB-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-N-(2-indol-1-ylethyl)aniline

2-fluoro-N-(2-indol-1-ylethyl)aniline (PubChem CID 62562125) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-fluoro-N-(2-indol-1-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-indol-1-ylethyl)aniline
PubChem CID62562125
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-N-(2-indol-1-ylethyl)aniline
SMILESFc1ccccc1NCCn1ccc2ccccc21
InChIInChI=1S/C16H15FN2/c17-14-6-2-3-7-15(14)18-10-12-19-11-9-13-5-1-4-8-16(13)19/h1-9,11,18H,10,12H2
InChIKeyVJFBFOKQCGWGDB-UHFFFAOYSA-N
XLogP3.89
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-indol-1-ylethyl)aniline
CID 55195314
3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride
CID 68862206
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
CID 63504515
1-(2-fluoroethyl)indole
CID 80694500
2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
CID 62564217
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-fluoropropyl)indole
CID 81113690
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-indol-1-ylethyl)aniline?
The IUPAC name of 2-fluoro-N-(2-indol-1-ylethyl)aniline (CID 62562125) is 2-fluoro-N-(2-indol-1-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-indol-1-ylethyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-indol-1-ylethyl)aniline is Fc1ccccc1NCCn1ccc2ccccc21.
What is the InChIKey of 2-fluoro-N-(2-indol-1-ylethyl)aniline?
The InChIKey is VJFBFOKQCGWGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c17-14-6-2-3-7-15(14)18-10-12-19-11-9-13-5-1-4-8-16(13)19/h1-9,11,18H,10,12H2.
What are the key properties of 2-fluoro-N-(2-indol-1-ylethyl)aniline?
2-fluoro-N-(2-indol-1-ylethyl)aniline has a molecular weight of 254.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-indol-1-ylethyl)aniline is sourced from PubChem (CID 62562125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).