1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine

C18H22ClN3O — CID 169386545

IUPAC1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
SMILESCOc1cc(CNNc2ccccc2)c(Cl)cc1N1CCCC1
InChIInChI=1S/C18H22ClN3O/c1-23-18-11-14(13-20-21-15-7-3-2-4-8-15)16(19)12-17(18)22-9-5-6-10-22/h2-4,7-8,11-12,20-21H,5-6,9-10,13H2,1H3
InChIKeyFHGUGGMKHJHSMP-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.07
Rot. Bonds6

About 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine

1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386545) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
PubChem CID169386545
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
SMILESCOc1cc(CNNc2ccccc2)c(Cl)cc1N1CCCC1
InChIInChI=1S/C18H22ClN3O/c1-23-18-11-14(13-20-21-15-7-3-2-4-8-15)16(19)12-17(18)22-9-5-6-10-22/h2-4,7-8,11-12,20-21H,5-6,9-10,13H2,1H3
InChIKeyFHGUGGMKHJHSMP-UHFFFAOYSA-N
XLogP4.07
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.07
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-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385819
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386122
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-phenylhydrazine
CID 169386637
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine (CID 169386545) is 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine is COc1cc(CNNc2ccccc2)c(Cl)cc1N1CCCC1.
What is the InChIKey of 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine?
The InChIKey is FHGUGGMKHJHSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-23-18-11-14(13-20-21-15-7-3-2-4-8-15)16(19)12-17(18)22-9-5-6-10-22/h2-4,7-8,11-12,20-21H,5-6,9-10,13H2,1H3.
What are the key properties of 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine?
1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine has a molecular weight of 331.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).