7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C11H15N — CID 55264670

IUPAC7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccc2c(c1)CCNCC2
InChIInChI=1S/C11H15N/c1-9-2-3-10-4-6-12-7-5-11(10)8-9/h2-3,8,12H,4-7H2,1H3
InChIKeyBYJSJCINJQCMSR-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.68
Rot. Bonds

About 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 55264670) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID55264670
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccc2c(c1)CCNCC2
InChIInChI=1S/C11H15N/c1-9-2-3-10-4-6-12-7-5-11(10)8-9/h2-3,8,12H,4-7H2,1H3
InChIKeyBYJSJCINJQCMSR-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 55264670) is 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is Cc1ccc2c(c1)CCNCC2.
What is the InChIKey of 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is BYJSJCINJQCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-2-3-10-4-6-12-7-5-11(10)8-9/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 161.25 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 55264670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).