1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine

C21H29N3O — CID 169386122

IUPAC1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)c(CN2CCCCCC2)c1
InChIInChI=1S/C21H29N3O/c1-25-21-12-11-18(16-22-23-20-9-5-4-6-10-20)19(15-21)17-24-13-7-2-3-8-14-24/h4-6,9-12,15,22-23H,2-3,7-8,13-14,16-17H2,1H3
InChIKeyKFTSPPXOFIQYJB-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.19
Rot. Bonds7

About 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine

1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine (PubChem CID 169386122) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine
PubChem CID169386122
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)c(CN2CCCCCC2)c1
InChIInChI=1S/C21H29N3O/c1-25-21-12-11-18(16-22-23-20-9-5-4-6-10-20)19(15-21)17-24-13-7-2-3-8-14-24/h4-6,9-12,15,22-23H,2-3,7-8,13-14,16-17H2,1H3
InChIKeyKFTSPPXOFIQYJB-UHFFFAOYSA-N
XLogP4.19
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydrazine
CID 169384769
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
bis((Z)-but-2-enedioic acid);1-[[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 86737178
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385039
2-[2-(azepan-1-ylmethyl)-4-methoxyphenyl]ethanamine
CID 170868855
[2-(azepan-1-ylmethyl)-4-methoxyphenyl]boronic acid
CID 65323323
1-(3-methoxyphenyl)-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111036630
1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
CID 169386545

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine (CID 169386122) is 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine is COc1ccc(CNNc2ccccc2)c(CN2CCCCCC2)c1.
What is the InChIKey of 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The InChIKey is KFTSPPXOFIQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-25-21-12-11-18(16-22-23-20-9-5-4-6-10-20)19(15-21)17-24-13-7-2-3-8-14-24/h4-6,9-12,15,22-23H,2-3,7-8,13-14,16-17H2,1H3.
What are the key properties of 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine?
1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine has a molecular weight of 339.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).