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

C16H16ClFN2 — CID 62094953

IUPAC3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C16H16ClFN2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-13-3-4-15(18)14(17)9-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyWGJJRXTXEZRCMH-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.08
Rot. Bonds3

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

3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 62094953) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID62094953
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C16H16ClFN2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-13-3-4-15(18)14(17)9-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyWGJJRXTXEZRCMH-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 103039006
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 62094953) is 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is CN1CCc2cc(CNc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is WGJJRXTXEZRCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-20-7-6-12-8-11(2-5-16(12)20)10-19-13-3-4-15(18)14(17)9-13/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 290.77 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 62094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).