1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine

C16H19ClN2O — CID 169384738

IUPAC1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCOc1ccc(Cl)cc1CNNc1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-2-10-20-16-9-8-14(17)11-13(16)12-18-19-15-6-4-3-5-7-15/h3-9,11,18-19H,2,10,12H2,1H3
InChIKeyVJCWXBOLAKVLGR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.25
Rot. Bonds7

About 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine

1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169384738) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169384738
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCOc1ccc(Cl)cc1CNNc1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-2-10-20-16-9-8-14(17)11-13(16)12-18-19-15-6-4-3-5-7-15/h3-9,11,18-19H,2,10,12H2,1H3
InChIKeyVJCWXBOLAKVLGR-UHFFFAOYSA-N
XLogP4.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 169386670
1-[(5-methyl-2-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384807
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
1-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385645
1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
CID 169386020
1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855156
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine (CID 169384738) is 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine is CCCOc1ccc(Cl)cc1CNNc1ccccc1.
What is the InChIKey of 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is VJCWXBOLAKVLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-10-20-16-9-8-14(17)11-13(16)12-18-19-15-6-4-3-5-7-15/h3-9,11,18-19H,2,10,12H2,1H3.
What are the key properties of 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine?
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 290.79 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).