2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane

C18H22N2O — CID 53237372

IUPAC2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
SMILESCOc1ccccc1C1CNCCCN1c1ccccc1
InChIInChI=1S/C18H22N2O/c1-21-18-11-6-5-10-16(18)17-14-19-12-7-13-20(17)15-8-3-2-4-9-15/h2-6,8-11,17,19H,7,12-14H2,1H3
InChIKeyFHTBQFYHCGTIGM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane

2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane (PubChem CID 53237372) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
PubChem CID53237372
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
SMILESCOc1ccccc1C1CNCCCN1c1ccccc1
InChIInChI=1S/C18H22N2O/c1-21-18-11-6-5-10-16(18)17-14-19-12-7-13-20(17)15-8-3-2-4-9-15/h2-6,8-11,17,19H,7,12-14H2,1H3
InChIKeyFHTBQFYHCGTIGM-UHFFFAOYSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565927
(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
CID 124565905
(2S)-2-methyl-1-phenyl-1,4-diazocane
CID 124706685
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 57134658
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane?
The IUPAC name of 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane (CID 53237372) is 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane?
The canonical SMILES for 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane is COc1ccccc1C1CNCCCN1c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane?
The InChIKey is FHTBQFYHCGTIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-11-6-5-10-16(18)17-14-19-12-7-13-20(17)15-8-3-2-4-9-15/h2-6,8-11,17,19H,7,12-14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane?
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane has a molecular weight of 282.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane is sourced from PubChem (CID 53237372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).