1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C16H23NO2 — CID 64688200

IUPAC1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1cc2c(cc1OC)C(C1CC1)NCC(C)C2
InChIInChI=1S/C16H23NO2/c1-10-6-12-7-14(18-2)15(19-3)8-13(12)16(17-9-10)11-4-5-11/h7-8,10-11,16-17H,4-6,9H2,1-3H3
InChIKeyQJHUEQDTAMNTPB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

About 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 64688200) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID64688200
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1cc2c(cc1OC)C(C1CC1)NCC(C)C2
InChIInChI=1S/C16H23NO2/c1-10-6-12-7-14(18-2)15(19-3)8-13(12)16(17-9-10)11-4-5-11/h7-8,10-11,16-17H,4-6,9H2,1-3H3
InChIKeyQJHUEQDTAMNTPB-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 97007339
(1R,4S)-7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 97007341
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 71422083
2-[[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione
CID 19610217
3-cyclobutyl-5,6-dimethoxy-2,3-dihydroisoindol-1-one
CID 177311772
7-(iodomethyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 46849743
1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64688199
1-(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 84633542
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 64688200) is 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1cc2c(cc1OC)C(C1CC1)NCC(C)C2.
What is the InChIKey of 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is QJHUEQDTAMNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-6-12-7-14(18-2)15(19-3)8-13(12)16(17-9-10)11-4-5-11/h7-8,10-11,16-17H,4-6,9H2,1-3H3.
What are the key properties of 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 261.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 64688200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).