5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine

C25H25NO2 — CID 101417678

IUPAC5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine
SMILESCOc1ccc(C2=C(c3ccccc3)N(C)CCc3ccccc32)cc1OC
InChIInChI=1S/C25H25NO2/c1-26-16-15-18-9-7-8-12-21(18)24(25(26)19-10-5-4-6-11-19)20-13-14-22(27-2)23(17-20)28-3/h4-14,17H,15-16H2,1-3H3
InChIKeyKZUKVEACJQVPNJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.11
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine

5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine (PubChem CID 101417678) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine
PubChem CID101417678
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine
SMILESCOc1ccc(C2=C(c3ccccc3)N(C)CCc3ccccc32)cc1OC
InChIInChI=1S/C25H25NO2/c1-26-16-15-18-9-7-8-12-21(18)24(25(26)19-10-5-4-6-11-19)20-13-14-22(27-2)23(17-20)28-3/h4-14,17H,15-16H2,1-3H3
InChIKeyKZUKVEACJQVPNJ-UHFFFAOYSA-N
XLogP5.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
CID 162400005
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110564615
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 110273739
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110564248
3-(2,3-dihydroindol-1-yl)-4-(3,4-dimethoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110564261
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CID 24800556
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
3-(3,4-dimethoxyphenyl)-2-(4-iodophenyl)-4,5-dihydrobenzo[g]indazole
CID 71518434
5-(2,3-dihydroindol-1-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 20912208
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CID 10781237

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine (CID 101417678) is 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine is COc1ccc(C2=C(c3ccccc3)N(C)CCc3ccccc32)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine?
The InChIKey is KZUKVEACJQVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26-16-15-18-9-7-8-12-21(18)24(25(26)19-10-5-4-6-11-19)20-13-14-22(27-2)23(17-20)28-3/h4-14,17H,15-16H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine?
5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine has a molecular weight of 371.48 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine is sourced from PubChem (CID 101417678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).