7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

C20H26ClNO2 — CID 20529935

IUPAC7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1cc2c(c(C)c1OC)CCN(C)CC2c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-14-16-10-11-21(2)13-18(15-8-6-5-7-9-15)17(16)12-19(22-3)20(14)23-4;/h5-9,12,18H,10-11,13H2,1-4H3;1H
InChIKeyRFABNSLROXYONH-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.05
Rot. Bonds3

About 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (PubChem CID 20529935) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
PubChem CID20529935
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1cc2c(c(C)c1OC)CCN(C)CC2c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-14-16-10-11-21(2)13-18(15-8-6-5-7-9-15)17(16)12-19(22-3)20(14)23-4;/h5-9,12,18H,10-11,13H2,1-4H3;1H
InChIKeyRFABNSLROXYONH-UHFFFAOYSA-N
XLogP4.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7,8-dimethoxy-3,9-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenol
CID 71031958
9-chloro-5-[4-[4-[4-(9-chloro-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenoxy]butoxy]phenyl]-7-methoxy-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
CID 142007912
8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
(5R)-5-[4-(5-bromopentoxy)phenyl]-9-chloro-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 59065554
9-(chloromethyl)-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde
CID 20529911
(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 132517866
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12786880
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
CID 45262761
4-(3-benzyl-9-chloro-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzamide
CID 44523515
8-chloro-5-(4-iodophenyl)-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 14547195
7-methyl-5-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepine
CID 134844984

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The IUPAC name of 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (CID 20529935) is 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
What is the SMILES notation for 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The canonical SMILES for 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is COc1cc2c(c(C)c1OC)CCN(C)CC2c1ccccc1.Cl.
What is the InChIKey of 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The InChIKey is RFABNSLROXYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-14-16-10-11-21(2)13-18(15-8-6-5-7-9-15)17(16)12-19(22-3)20(14)23-4;/h5-9,12,18H,10-11,13H2,1-4H3;1H.
What are the key properties of 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is sourced from PubChem (CID 20529935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).