7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine

C19H21N3O2 — CID 70081843

IUPAC7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NN=C(N(C)C)C2
InChIInChI=1S/C19H21N3O2/c1-22(2)18-11-14-10-16(23-3)17(24-4)12-15(14)19(21-20-18)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
InChIKeyVFXMEMJGGMYZSK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds3

About 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine

7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine (PubChem CID 70081843) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine
PubChem CID70081843
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NN=C(N(C)C)C2
InChIInChI=1S/C19H21N3O2/c1-22(2)18-11-14-10-16(23-3)17(24-4)12-15(14)19(21-20-18)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
InChIKeyVFXMEMJGGMYZSK-UHFFFAOYSA-N
XLogP2.97
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine?
The IUPAC name of 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine (CID 70081843) is 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine is COc1cc2c(cc1OC)C(c1ccccc1)=NN=C(N(C)C)C2.
What is the InChIKey of 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine?
The InChIKey is VFXMEMJGGMYZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)18-11-14-10-16(23-3)17(24-4)12-15(14)19(21-20-18)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3.
What are the key properties of 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine?
7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine is sourced from PubChem (CID 70081843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).