7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C19H24N2 — CID 82249079

IUPAC7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1ccc2c(c1)CNCCN2CCCc1ccccc1
InChIInChI=1S/C19H24N2/c1-16-9-10-19-18(14-16)15-20-11-13-21(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3
InChIKeyHEXASQQMHNIREN-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.54
Rot. Bonds4

About 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 82249079) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID82249079
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1ccc2c(c1)CNCCN2CCCc1ccccc1
InChIInChI=1S/C19H24N2/c1-16-9-10-19-18(14-16)15-20-11-13-21(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3
InChIKeyHEXASQQMHNIREN-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 82249079) is 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is Cc1ccc2c(c1)CNCCN2CCCc1ccccc1.
What is the InChIKey of 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is HEXASQQMHNIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-9-10-19-18(14-16)15-20-11-13-21(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3.
What are the key properties of 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 280.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 82249079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).