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

C11H15N — CID 58285092

IUPAC7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc2c(c1)CCCNC2
InChIInChI=1S/C11H15N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyMNYTVIWJLQZDJG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.03
Rot. Bonds

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

7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 58285092) 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-2-benzazepine.

Molecular Properties

Compound Name7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID58285092
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc2c(c1)CCCNC2
InChIInChI=1S/C11H15N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyMNYTVIWJLQZDJG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-2-benzazepine?
The IUPAC name of 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 58285092) is 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is Cc1ccc2c(c1)CCCNC2.
What is the InChIKey of 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is MNYTVIWJLQZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of 7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 161.25 g/mol, XLogP of 2.03, 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-2-benzazepine is sourced from PubChem (CID 58285092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).