7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

C24H26N2O — CID 70665356

IUPAC7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccnc(COc2ccc(C)cc2-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C24H26N2O/c1-17-3-6-24(27-16-22-13-18(2)7-12-26-22)23(14-17)21-5-4-19-8-10-25-11-9-20(19)15-21/h3-7,12-15,25H,8-11,16H2,1-2H3
InChIKeyFMMPZMBAYAITFS-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.63
Rot. Bonds4

About 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 70665356) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID70665356
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCc1ccnc(COc2ccc(C)cc2-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C24H26N2O/c1-17-3-6-24(27-16-22-13-18(2)7-12-26-22)23(14-17)21-5-4-19-8-10-25-11-9-20(19)15-21/h3-7,12-15,25H,8-11,16H2,1-2H3
InChIKeyFMMPZMBAYAITFS-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 70665356) is 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is Cc1ccnc(COc2ccc(C)cc2-c2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is FMMPZMBAYAITFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-17-3-6-24(27-16-22-13-18(2)7-12-26-22)23(14-17)21-5-4-19-8-10-25-11-9-20(19)15-21/h3-7,12-15,25H,8-11,16H2,1-2H3.
What are the key properties of 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 358.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 70665356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).