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

C12H17NO — CID 12827785

IUPAC7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1ccc2c(c1)CCCC(C)N2
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(14-2)6-7-12(10)13-9/h6-9,13H,3-5H2,1-2H3
InChIKeyNHMHNTYDXBZGSZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds1

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

7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 12827785) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID12827785
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1ccc2c(c1)CCCC(C)N2
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(14-2)6-7-12(10)13-9/h6-9,13H,3-5H2,1-2H3
InChIKeyNHMHNTYDXBZGSZ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 12715494
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2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine
CID 64979039
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 12827785) is 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is COc1ccc2c(c1)CCCC(C)N2.
What is the InChIKey of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is NHMHNTYDXBZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(14-2)6-7-12(10)13-9/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 191.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 12827785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).