N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline

C16H17FN2O — CID 114838905

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
SMILESCOc1cc(NCc2cccc3c2NCC3)ccc1F
InChIInChI=1S/C16H17FN2O/c1-20-15-9-13(5-6-14(15)17)19-10-12-4-2-3-11-7-8-18-16(11)12/h2-6,9,18-19H,7-8,10H2,1H3
InChIKeyQXYNBKNJSJCLNO-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.41
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline (PubChem CID 114838905) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
PubChem CID114838905
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
SMILESCOc1cc(NCc2cccc3c2NCC3)ccc1F
InChIInChI=1S/C16H17FN2O/c1-20-15-9-13(5-6-14(15)17)19-10-12-4-2-3-11-7-8-18-16(11)12/h2-6,9,18-19H,7-8,10H2,1H3
InChIKeyQXYNBKNJSJCLNO-UHFFFAOYSA-N
XLogP3.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
CID 80649181
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
N-[(2-bromo-3-fluorophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114839488
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 120855599
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline (CID 114838905) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline is COc1cc(NCc2cccc3c2NCC3)ccc1F.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline?
The InChIKey is QXYNBKNJSJCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-20-15-9-13(5-6-14(15)17)19-10-12-4-2-3-11-7-8-18-16(11)12/h2-6,9,18-19H,7-8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline has a molecular weight of 272.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline is sourced from PubChem (CID 114838905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).