8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine

C22H30N2O — CID 162731168

IUPAC8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine
SMILESCOCCN1CCC(C)(C)c2ccc(-c3cc(C)nc(C)c3)cc2C1
InChIInChI=1S/C22H30N2O/c1-16-12-19(13-17(2)23-16)18-6-7-21-20(14-18)15-24(10-11-25-5)9-8-22(21,3)4/h6-7,12-14H,8-11,15H2,1-5H3
InChIKeyIENSFBHUPNGNTH-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.50
Rot. Bonds4

About 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine

8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine (PubChem CID 162731168) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine
PubChem CID162731168
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine
SMILESCOCCN1CCC(C)(C)c2ccc(-c3cc(C)nc(C)c3)cc2C1
InChIInChI=1S/C22H30N2O/c1-16-12-19(13-17(2)23-16)18-6-7-21-20(14-18)15-24(10-11-25-5)9-8-22(21,3)4/h6-7,12-14H,8-11,15H2,1-5H3
InChIKeyIENSFBHUPNGNTH-UHFFFAOYSA-N
XLogP4.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine with MolForge

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Related Compounds

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CID 145981699
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CID 145989127
4-[[2-Methyl-1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145993537
4-[[1-(3-Methoxypropyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145982320
4-[[1,2-Dimethyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145992134
4-[[1-(2-Methoxyethyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145993135
4,6-Dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]nicotinonitrile
CID 56719645
4-Butyl-8,9,14-triethyl-9-(fluoromethyl)-8-methyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
CID 123237775
4-Butyl-8,9-diethyl-9-(fluoromethyl)-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
CID 123383730
4-Butyl-8,9-diethyl-9-(fluoromethyl)-8-methyl-14-propyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
CID 123730805
4-Butyl-14-ethenyl-8,9-diethyl-9-(fluoromethyl)-8-methyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
CID 123920160
8,8-Diethyl-4-(fluoromethyl)-6,7-dihydropyrido[2,1-a][2]benzazepin-5-ium
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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine?
The IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine (CID 162731168) is 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine.
What is the SMILES notation for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine?
The canonical SMILES for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine is COCCN1CCC(C)(C)c2ccc(-c3cc(C)nc(C)c3)cc2C1.
What is the InChIKey of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine?
The InChIKey is IENSFBHUPNGNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16-12-19(13-17(2)23-16)18-6-7-21-20(14-18)15-24(10-11-25-5)9-8-22(21,3)4/h6-7,12-14H,8-11,15H2,1-5H3.
What are the key properties of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine?
8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine has a molecular weight of 338.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine is sourced from PubChem (CID 162731168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).