7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine

C19H23NO2 — CID 12744904

IUPAC7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1OC)CC(c1ccccc1)N(C)CC2
InChIInChI=1S/C19H23NO2/c1-20-10-9-15-12-18(21-2)19(22-3)13-16(15)11-17(20)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyWWKKVDSZYJOIGM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.48
Rot. Bonds3

About 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine

7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 12744904) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID12744904
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1OC)CC(c1ccccc1)N(C)CC2
InChIInChI=1S/C19H23NO2/c1-20-10-9-15-12-18(21-2)19(22-3)13-16(15)11-17(20)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyWWKKVDSZYJOIGM-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-8-chloro-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] benzoate;hydrochloride
CID 70613097
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 102052760
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 10042357
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10107666
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
2-methoxy-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 162992620

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine (CID 12744904) is 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine is COc1cc2c(cc1OC)CC(c1ccccc1)N(C)CC2.
What is the InChIKey of 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is WWKKVDSZYJOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20-10-9-15-12-18(21-2)19(22-3)13-16(15)11-17(20)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3.
What are the key properties of 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 297.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 12744904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).