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

C16H17FN2 — CID 64769040

IUPAC3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
SMILESCC1Cc2ccccc2N1Cc1ccc(N)cc1F
InChIInChI=1S/C16H17FN2/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(18)9-15(13)17/h2-7,9,11H,8,10,18H2,1H3
InChIKeyQSDWOLYJIPVNNR-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.36
Rot. Bonds2

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

3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline (PubChem CID 64769040) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
PubChem CID64769040
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
SMILESCC1Cc2ccccc2N1Cc1ccc(N)cc1F
InChIInChI=1S/C16H17FN2/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(18)9-15(13)17/h2-7,9,11H,8,10,18H2,1H3
InChIKeyQSDWOLYJIPVNNR-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.36
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

3-fluoro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769628
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472
3-fluoro-4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769057
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405914
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102769052
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline?
The IUPAC name of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline (CID 64769040) is 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline is CC1Cc2ccccc2N1Cc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline?
The InChIKey is QSDWOLYJIPVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(18)9-15(13)17/h2-7,9,11H,8,10,18H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline?
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline has a molecular weight of 256.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline is sourced from PubChem (CID 64769040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).