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

C14H18BrNO — CID 10402279

IUPAC7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1cc2c(cc1Br)C(C1CC1)CNCC2
InChIInChI=1S/C14H18BrNO/c1-17-14-6-10-4-5-16-8-12(9-2-3-9)11(10)7-13(14)15/h6-7,9,12,16H,2-5,8H2,1H3
InChIKeyCJNIKSUHKLMLAY-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.10
Rot. Bonds2

About 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 10402279) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID10402279
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1cc2c(cc1Br)C(C1CC1)CNCC2
InChIInChI=1S/C14H18BrNO/c1-17-14-6-10-4-5-16-8-12(9-2-3-9)11(10)7-13(14)15/h6-7,9,12,16H,2-5,8H2,1H3
InChIKeyCJNIKSUHKLMLAY-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane
CID 174453311
6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 71422083
(5S)-7-bromo-5-methyl-8-prop-2-enoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66905907
4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
CID 79321380
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 10335666

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 10402279) is 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine is COc1cc2c(cc1Br)C(C1CC1)CNCC2.
What is the InChIKey of 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is CJNIKSUHKLMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-17-14-6-10-4-5-16-8-12(9-2-3-9)11(10)7-13(14)15/h6-7,9,12,16H,2-5,8H2,1H3.
What are the key properties of 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 296.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 10402279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).