2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

C16H16F2N2 — CID 62096658

IUPAC2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccc(F)cc3F)ccc21
InChIInChI=1S/C16H16F2N2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-15-4-3-13(17)9-14(15)18/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyFQLRZUUMLXJIAI-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.57
Rot. Bonds3

About 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 62096658) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID62096658
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccc(F)cc3F)ccc21
InChIInChI=1S/C16H16F2N2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-15-4-3-13(17)9-14(15)18/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyFQLRZUUMLXJIAI-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
CID 62096876
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-nitroaniline
CID 62096511

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 62096658) is 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is CN1CCc2cc(CNc3ccc(F)cc3F)ccc21.
What is the InChIKey of 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is FQLRZUUMLXJIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-15-4-3-13(17)9-14(15)18/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 274.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 62096658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).