1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine

C16H19ClN2O — CID 57196897

IUPAC1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(CNNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-20-16-7-3-5-14(11-16)12-19-18-9-8-13-4-2-6-15(17)10-13/h2-7,10-11,18-19H,8-9,12H2,1H3
InChIKeyQNDFSMJREGOAIH-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine

1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine (PubChem CID 57196897) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
PubChem CID57196897
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(CNNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O/c1-20-16-7-3-5-14(11-16)12-19-18-9-8-13-4-2-6-15(17)10-13/h2-7,10-11,18-19H,8-9,12H2,1H3
InChIKeyQNDFSMJREGOAIH-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111176980
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
1-[(4-chlorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111132156
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine (CID 57196897) is 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine is COc1cccc(CNNCCc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine?
The InChIKey is QNDFSMJREGOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-20-16-7-3-5-14(11-16)12-19-18-9-8-13-4-2-6-15(17)10-13/h2-7,10-11,18-19H,8-9,12H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine?
1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine has a molecular weight of 290.79 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 57196897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).