4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline

C15H15FN2 — CID 55067818

IUPAC4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
SMILESCC1Cc2ccccc2N1c1cc(F)ccc1N
InChIInChI=1S/C15H15FN2/c1-10-8-11-4-2-3-5-14(11)18(10)15-9-12(16)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3
InChIKeyTWYGIWOAMHUCDI-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.49
Rot. Bonds1

About 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline

4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline (PubChem CID 55067818) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
PubChem CID55067818
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
SMILESCC1Cc2ccccc2N1c1cc(F)ccc1N
InChIInChI=1S/C15H15FN2/c1-10-8-11-4-2-3-5-14(11)18(10)15-9-12(16)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3
InChIKeyTWYGIWOAMHUCDI-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
CID 63356081
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784738
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 78939271
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
CID 63051201
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline?
The IUPAC name of 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline (CID 55067818) is 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline?
The canonical SMILES for 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline is CC1Cc2ccccc2N1c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline?
The InChIKey is TWYGIWOAMHUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-10-8-11-4-2-3-5-14(11)18(10)15-9-12(16)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3.
What are the key properties of 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline?
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline has a molecular weight of 242.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline is sourced from PubChem (CID 55067818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).