4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine

C22H23NO2 — CID 67968910

IUPAC4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine
SMILESCOc1cc2c(C)cc(N)c(-c3ccccc3)c2c2c1OC(C)(C)C2
InChIInChI=1S/C22H23NO2/c1-13-10-17(23)19(14-8-6-5-7-9-14)20-15(13)11-18(24-4)21-16(20)12-22(2,3)25-21/h5-11H,12,23H2,1-4H3
InChIKeyBYVHLJDPZRYOSW-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.12
Rot. Bonds2

About 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine

4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine (PubChem CID 67968910) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine.

Molecular Properties

Compound Name4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine
PubChem CID67968910
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine
SMILESCOc1cc2c(C)cc(N)c(-c3ccccc3)c2c2c1OC(C)(C)C2
InChIInChI=1S/C22H23NO2/c1-13-10-17(23)19(14-8-6-5-7-9-14)20-15(13)11-18(24-4)21-16(20)12-22(2,3)25-21/h5-11H,12,23H2,1-4H3
InChIKeyBYVHLJDPZRYOSW-UHFFFAOYSA-N
XLogP5.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methoxy-2,2-dimethyl-9-phenyl-1H-benzo[e][1]benzofuran-6-ol
CID 67968913
6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide
CID 139959656
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
2,4-dimethoxy-3-phenylaniline
CID 165495221
(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
CID 22344292
ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
CID 139900656
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
CID 177454119
7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 23296063
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine?
The IUPAC name of 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine (CID 67968910) is 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine.
What is the SMILES notation for 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine?
The canonical SMILES for 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine is COc1cc2c(C)cc(N)c(-c3ccccc3)c2c2c1OC(C)(C)C2.
What is the InChIKey of 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine?
The InChIKey is BYVHLJDPZRYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13-10-17(23)19(14-8-6-5-7-9-14)20-15(13)11-18(24-4)21-16(20)12-22(2,3)25-21/h5-11H,12,23H2,1-4H3.
What are the key properties of 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine?
4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine has a molecular weight of 333.43 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,6-trimethyl-9-phenyl-1H-benzo[e][1]benzofuran-8-amine is sourced from PubChem (CID 67968910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).