1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C15H21NO — CID 64688198

IUPAC1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1)C(C1CC1)NCC(C)C2
InChIInChI=1S/C15H21NO/c1-10-7-12-5-6-13(17-2)8-14(12)15(16-9-10)11-3-4-11/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3
InChIKeyRUVXHCDBFAGRRQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.93
Rot. Bonds2

About 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 64688198) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID64688198
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1)C(C1CC1)NCC(C)C2
InChIInChI=1S/C15H21NO/c1-10-7-12-5-6-13(17-2)8-14(12)15(16-9-10)11-3-4-11/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3
InChIKeyRUVXHCDBFAGRRQ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688200
6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide
CID 79368004
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
CID 116822166
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 107137752
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552
1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79726232
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 64688198) is 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1ccc2c(c1)C(C1CC1)NCC(C)C2.
What is the InChIKey of 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is RUVXHCDBFAGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-7-12-5-6-13(17-2)8-14(12)15(16-9-10)11-3-4-11/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 231.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 64688198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).