7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C21H27NO2 — CID 20529912

IUPAC7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCCCc1c2c(cc(OC)c1OC)C(c1ccccc1)CNCC2
InChIInChI=1S/C21H27NO2/c1-4-8-17-16-11-12-22-14-19(15-9-6-5-7-10-15)18(16)13-20(23-2)21(17)24-3/h5-7,9-10,13,19,22H,4,8,11-12,14H2,1-3H3
InChIKeyIUCYADHGIUUFHS-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.93
Rot. Bonds5

About 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 20529912) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID20529912
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCCCc1c2c(cc(OC)c1OC)C(c1ccccc1)CNCC2
InChIInChI=1S/C21H27NO2/c1-4-8-17-16-11-12-22-14-19(15-9-6-5-7-10-15)18(16)13-20(23-2)21(17)24-3/h5-7,9-10,13,19,22H,4,8,11-12,14H2,1-3H3
InChIKeyIUCYADHGIUUFHS-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393
9-(chloromethyl)-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde
CID 20529911
(5-phenyl-7-propanoyloxy-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) propanoate;hydrochloride
CID 161238561
11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene
CID 10063944
7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 20529935
5-amino-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carbonitrile;toluene
CID 142979780
[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane
CID 91697107
(5S)-7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carbonitrile
CID 159280234
1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol
CID 67818347
(5S)-9-nitro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
CID 159829994
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 20529912) is 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CCCc1c2c(cc(OC)c1OC)C(c1ccccc1)CNCC2.
What is the InChIKey of 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is IUCYADHGIUUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-8-17-16-11-12-22-14-19(15-9-6-5-7-10-15)18(16)13-20(23-2)21(17)24-3/h5-7,9-10,13,19,22H,4,8,11-12,14H2,1-3H3.
What are the key properties of 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 325.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 20529912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).