1-(3-methylphenyl)-3-phenyl-1,4-diazepane

C18H22N2 — CID 64944303

IUPAC1-(3-methylphenyl)-3-phenyl-1,4-diazepane
SMILESCc1cccc(N2CCCNC(c3ccccc3)C2)c1
InChIInChI=1S/C18H22N2/c1-15-7-5-10-17(13-15)20-12-6-11-19-18(14-20)16-8-3-2-4-9-16/h2-5,7-10,13,18-19H,6,11-12,14H2,1H3
InChIKeyHUXIFYZDCZWZGD-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.54
Rot. Bonds2

About 1-(3-methylphenyl)-3-phenyl-1,4-diazepane

1-(3-methylphenyl)-3-phenyl-1,4-diazepane (PubChem CID 64944303) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenyl-1,4-diazepane
PubChem CID64944303
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(3-methylphenyl)-3-phenyl-1,4-diazepane
SMILESCc1cccc(N2CCCNC(c3ccccc3)C2)c1
InChIInChI=1S/C18H22N2/c1-15-7-5-10-17(13-15)20-12-6-11-19-18(14-20)16-8-3-2-4-9-16/h2-5,7-10,13,18-19H,6,11-12,14H2,1H3
InChIKeyHUXIFYZDCZWZGD-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenyl-1,4-diazepane?
The IUPAC name of 1-(3-methylphenyl)-3-phenyl-1,4-diazepane (CID 64944303) is 1-(3-methylphenyl)-3-phenyl-1,4-diazepane.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenyl-1,4-diazepane?
The canonical SMILES for 1-(3-methylphenyl)-3-phenyl-1,4-diazepane is Cc1cccc(N2CCCNC(c3ccccc3)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenyl-1,4-diazepane?
The InChIKey is HUXIFYZDCZWZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-7-5-10-17(13-15)20-12-6-11-19-18(14-20)16-8-3-2-4-9-16/h2-5,7-10,13,18-19H,6,11-12,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-phenyl-1,4-diazepane?
1-(3-methylphenyl)-3-phenyl-1,4-diazepane has a molecular weight of 266.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-phenyl-1,4-diazepane is sourced from PubChem (CID 64944303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).