2-methyl-1,3-dihydro-2-benzazepine

C11H13N — CID 10898976

IUPAC2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC=Cc2ccccc2C1
InChIInChI=1S/C11H13N/c1-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7H,8-9H2,1H3
InChIKeyLRWBGELCQCQXHY-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.15
Rot. Bonds

About 2-methyl-1,3-dihydro-2-benzazepine

2-methyl-1,3-dihydro-2-benzazepine (PubChem CID 10898976) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name2-methyl-1,3-dihydro-2-benzazepine
PubChem CID10898976
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC=Cc2ccccc2C1
InChIInChI=1S/C11H13N/c1-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7H,8-9H2,1H3
InChIKeyLRWBGELCQCQXHY-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydro-2-benzazepine?
The IUPAC name of 2-methyl-1,3-dihydro-2-benzazepine (CID 10898976) is 2-methyl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 2-methyl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 2-methyl-1,3-dihydro-2-benzazepine is CN1CC=Cc2ccccc2C1.
What is the InChIKey of 2-methyl-1,3-dihydro-2-benzazepine?
The InChIKey is LRWBGELCQCQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7H,8-9H2,1H3.
What are the key properties of 2-methyl-1,3-dihydro-2-benzazepine?
2-methyl-1,3-dihydro-2-benzazepine has a molecular weight of 159.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 10898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).