1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane

C19H24N2O — CID 3838263

IUPAC1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
SMILESCOc1ccc(C(c2ccccc2)N2CCCNCC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-18-10-8-17(9-11-18)19(16-6-3-2-4-7-16)21-14-5-12-20-13-15-21/h2-4,6-11,19-20H,5,12-15H2,1H3
InChIKeyFXXKXYSIXXREJF-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.08
Rot. Bonds4

About 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane

1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane (PubChem CID 3838263) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
PubChem CID3838263
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
SMILESCOc1ccc(C(c2ccccc2)N2CCCNCC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-18-10-8-17(9-11-18)19(16-6-3-2-4-7-16)21-14-5-12-20-13-15-21/h2-4,6-11,19-20H,5,12-15H2,1H3
InChIKeyFXXKXYSIXXREJF-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3808845
1-[(2,6-dimethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 5130117
1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 3798790
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3715051

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane?
The IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane (CID 3838263) is 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane.
What is the SMILES notation for 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane?
The canonical SMILES for 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane is COc1ccc(C(c2ccccc2)N2CCCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane?
The InChIKey is FXXKXYSIXXREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-18-10-8-17(9-11-18)19(16-6-3-2-4-7-16)21-14-5-12-20-13-15-21/h2-4,6-11,19-20H,5,12-15H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane?
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane has a molecular weight of 296.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane is sourced from PubChem (CID 3838263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).