2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile

C17H17N3 — CID 80650196

IUPAC2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2cccc3c2NCC3)cc1
InChIInChI=1S/C17H17N3/c18-10-8-13-4-6-16(7-5-13)20-12-15-3-1-2-14-9-11-19-17(14)15/h1-7,19-20H,8-9,11-12H2
InChIKeyGQTGSLJPJKEIRH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile

2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile (PubChem CID 80650196) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
PubChem CID80650196
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2cccc3c2NCC3)cc1
InChIInChI=1S/C17H17N3/c18-10-8-13-4-6-16(7-5-13)20-12-15-3-1-2-14-9-11-19-17(14)15/h1-7,19-20H,8-9,11-12H2
InChIKeyGQTGSLJPJKEIRH-UHFFFAOYSA-N
XLogP3.33
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
4-bromo-2-(2,3-dihydro-1H-indol-7-ylmethylamino)benzonitrile
CID 107797533
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-5-fluoro-4-methylbenzonitrile
CID 80648861
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile (CID 80650196) is 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile is N#CCc1ccc(NCc2cccc3c2NCC3)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile?
The InChIKey is GQTGSLJPJKEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-10-8-13-4-6-16(7-5-13)20-12-15-3-1-2-14-9-11-19-17(14)15/h1-7,19-20H,8-9,11-12H2.
What are the key properties of 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile?
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile is sourced from PubChem (CID 80650196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).