7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

C20H25NO3 — CID 132517866

IUPAC7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc(C2CN(C)CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H25NO3/c1-21-10-9-15-11-19(23-3)20(24-4)12-17(15)18(13-21)14-5-7-16(22-2)8-6-14/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyGKWNZSUGWVQAEH-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.33
Rot. Bonds4

About 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 132517866) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID132517866
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc(C2CN(C)CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H25NO3/c1-21-10-9-15-11-19(23-3)20(24-4)12-17(15)18(13-21)14-5-7-16(22-2)8-6-14/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyGKWNZSUGWVQAEH-UHFFFAOYSA-N
XLogP3.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12786880
4-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)aniline
CID 68734998
4-[(5S)-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]aniline
CID 129389241
8-chloro-5-(4-iodophenyl)-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 14547195
8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
4-(7,8-dimethoxy-3,9-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenol
CID 71031958
7-methyl-5-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepine
CID 134844984
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
2-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 4711763
7-[3-(azetidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 70807228

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 132517866) is 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is COc1ccc(C2CN(C)CCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is GKWNZSUGWVQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-21-10-9-15-11-19(23-3)20(24-4)12-17(15)18(13-21)14-5-7-16(22-2)8-6-14/h5-8,11-12,18H,9-10,13H2,1-4H3.
What are the key properties of 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 327.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 132517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).