4,5-dimethyl-2,3-dihydro-1H-3-benzazepine

C12H15N — CID 118587446

IUPAC4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
SMILESCC1=C(C)c2ccccc2CCN1
InChIInChI=1S/C12H15N/c1-9-10(2)13-8-7-11-5-3-4-6-12(9)11/h3-6,13H,7-8H2,1-2H3
InChIKeyXJUWVSRGSGSJEL-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.58
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine

4,5-dimethyl-2,3-dihydro-1H-3-benzazepine (PubChem CID 118587446) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
PubChem CID118587446
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
SMILESCC1=C(C)c2ccccc2CCN1
InChIInChI=1S/C12H15N/c1-9-10(2)13-8-7-11-5-3-4-6-12(9)11/h3-6,13H,7-8H2,1-2H3
InChIKeyXJUWVSRGSGSJEL-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine (CID 118587446) is 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine is CC1=C(C)c2ccccc2CCN1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine?
The InChIKey is XJUWVSRGSGSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-10(2)13-8-7-11-5-3-4-6-12(9)11/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine?
4,5-dimethyl-2,3-dihydro-1H-3-benzazepine has a molecular weight of 173.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1H-3-benzazepine is sourced from PubChem (CID 118587446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).