4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol

C18H21NO3 — CID 783893

IUPAC4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O
InChIInChI=1S/C18H21NO3/c1-21-16-8-12(9-17(22-2)18(16)20)11-19-15-7-6-13-4-3-5-14(13)10-15/h6-10,19-20H,3-5,11H2,1-2H3
InChIKeyDISFOFHRXVIELB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds5

About 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol

4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol (PubChem CID 783893) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol
PubChem CID783893
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O
InChIInChI=1S/C18H21NO3/c1-21-16-8-12(9-17(22-2)18(16)20)11-19-15-7-6-13-4-3-5-14(13)10-15/h6-10,19-20H,3-5,11H2,1-2H3
InChIKeyDISFOFHRXVIELB-UHFFFAOYSA-N
XLogP3.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 364716
CID 364716
CID 373798
CID 373798
CID 373800
CID 373800
CID 372855
CID 372855
CID 373799
CID 373799
CID 373801
CID 373801
CID 3858898
CID 3858898
CID 772849
CID 772849
CID 784312
CID 784312
CID 784402
CID 784402
CID 1377033
CID 1377033
CID 134143066
CID 134143066

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol (CID 783893) is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol is COc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol?
The InChIKey is DISFOFHRXVIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-8-12(9-17(22-2)18(16)20)11-19-15-7-6-13-4-3-5-14(13)10-15/h6-10,19-20H,3-5,11H2,1-2H3.
What are the key properties of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol?
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol has a molecular weight of 299.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 783893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).