4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

C17H25NO2 — CID 101488870

IUPAC4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CC(C1CCCC1)CNC2
InChIInChI=1S/C17H25NO2/c1-19-16-8-7-13-10-18-11-14(12-5-3-4-6-12)9-15(13)17(16)20-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3
InChIKeyMJBHQYJWUZSMCY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds3

About 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 101488870) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID101488870
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CC(C1CCCC1)CNC2
InChIInChI=1S/C17H25NO2/c1-19-16-8-7-13-10-18-11-14(12-5-3-4-6-12)9-15(13)17(16)20-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3
InChIKeyMJBHQYJWUZSMCY-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 83890605
(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 95366245
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
4,5-dimethoxy-2-pyrrolidin-3-yl-1,3-dihydroisoindole
CID 154175506
(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
CID 70268151
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 4140999

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 101488870) is 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1ccc2c(c1OC)CC(C1CCCC1)CNC2.
What is the InChIKey of 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is MJBHQYJWUZSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-16-8-7-13-10-18-11-14(12-5-3-4-6-12)9-15(13)17(16)20-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3.
What are the key properties of 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 275.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 101488870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).