3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol

C17H20N2O — CID 80650501

IUPAC3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2cccc3c2NCC3)c(C)c1O
InChIInChI=1S/C17H20N2O/c1-11-6-7-15(12(2)17(11)20)19-10-14-5-3-4-13-8-9-18-16(13)14/h3-7,18-20H,8-10H2,1-2H3
InChIKeyAXRIXBOXGPXGJI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds3

About 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol (PubChem CID 80650501) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol
PubChem CID80650501
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2cccc3c2NCC3)c(C)c1O
InChIInChI=1S/C17H20N2O/c1-11-6-7-15(12(2)17(11)20)19-10-14-5-3-4-13-8-9-18-16(13)14/h3-7,18-20H,8-10H2,1-2H3
InChIKeyAXRIXBOXGPXGJI-UHFFFAOYSA-N
XLogP3.59
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 80649143
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-5-fluoro-4-methylbenzonitrile
CID 80648861
6-methyl-2,3-dihydro-1H-indol-7-ol
CID 84649314
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
CID 80648918
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol (CID 80650501) is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol is Cc1ccc(NCc2cccc3c2NCC3)c(C)c1O.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol?
The InChIKey is AXRIXBOXGPXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-6-7-15(12(2)17(11)20)19-10-14-5-3-4-13-8-9-18-16(13)14/h3-7,18-20H,8-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol?
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol has a molecular weight of 268.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol is sourced from PubChem (CID 80650501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).