1-(2-benzylphenyl)-3-methyl-1,4-diazepane

C19H24N2 — CID 64945059

IUPAC1-(2-benzylphenyl)-3-methyl-1,4-diazepane
SMILESCC1CN(c2ccccc2Cc2ccccc2)CCCN1
InChIInChI=1S/C19H24N2/c1-16-15-21(13-7-12-20-16)19-11-6-5-10-18(19)14-17-8-3-2-4-9-17/h2-6,8-11,16,20H,7,12-15H2,1H3
InChIKeyPOLFJLXBNVQKJL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-benzylphenyl)-3-methyl-1,4-diazepane

1-(2-benzylphenyl)-3-methyl-1,4-diazepane (PubChem CID 64945059) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-methyl-1,4-diazepane
PubChem CID64945059
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-(2-benzylphenyl)-3-methyl-1,4-diazepane
SMILESCC1CN(c2ccccc2Cc2ccccc2)CCCN1
InChIInChI=1S/C19H24N2/c1-16-15-21(13-7-12-20-16)19-11-6-5-10-18(19)14-17-8-3-2-4-9-17/h2-6,8-11,16,20H,7,12-15H2,1H3
InChIKeyPOLFJLXBNVQKJL-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(2-benzylphenyl)-3-methyl-1,4-diazepane (CID 64945059) is 1-(2-benzylphenyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2-benzylphenyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(2-benzylphenyl)-3-methyl-1,4-diazepane is CC1CN(c2ccccc2Cc2ccccc2)CCCN1.
What is the InChIKey of 1-(2-benzylphenyl)-3-methyl-1,4-diazepane?
The InChIKey is POLFJLXBNVQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-15-21(13-7-12-20-16)19-11-6-5-10-18(19)14-17-8-3-2-4-9-17/h2-6,8-11,16,20H,7,12-15H2,1H3.
What are the key properties of 1-(2-benzylphenyl)-3-methyl-1,4-diazepane?
1-(2-benzylphenyl)-3-methyl-1,4-diazepane has a molecular weight of 280.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64945059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).