6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

C12H15Cl2N — CID 11447912

IUPAC6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CN(C)CCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H15Cl2N/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3
InChIKeyAPEKSNHUILZZDC-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.58
Rot. Bonds

About 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 11447912) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID11447912
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CN(C)CCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H15Cl2N/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3
InChIKeyAPEKSNHUILZZDC-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (CID 11447912) is 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is CC1CN(C)CCc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is APEKSNHUILZZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 244.16 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 11447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).