[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine

C15H18ClN3O — CID 105205014

IUPAC[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1ccncc1Cl)NN
InChIInChI=1S/C15H18ClN3O/c1-20-15-5-3-2-4-12(15)9-13(19-17)8-11-6-7-18-10-14(11)16/h2-7,10,13,19H,8-9,17H2,1H3
InChIKeyVPYJOIDMGKYYPP-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.36
Rot. Bonds6

About [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine

[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105205014) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105205014
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1ccncc1Cl)NN
InChIInChI=1S/C15H18ClN3O/c1-20-15-5-3-2-4-12(15)9-13(19-17)8-11-6-7-18-10-14(11)16/h2-7,10,13,19H,8-9,17H2,1H3
InChIKeyVPYJOIDMGKYYPP-UHFFFAOYSA-N
XLogP2.36
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
[1-(3-chloro-4-pyridinyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205447
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
[1-(3-chloro-4-pyridinyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212419
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105204924
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849
[1-(3-chloro-4-pyridinyl)-5-phenylpentan-2-yl]hydrazine
CID 105314808
[(3-chloro-4-pyridinyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285750
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105289375

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (CID 105205014) is [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine is COc1ccccc1CC(Cc1ccncc1Cl)NN.
What is the InChIKey of [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is VPYJOIDMGKYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-15-5-3-2-4-12(15)9-13(19-17)8-11-6-7-18-10-14(11)16/h2-7,10,13,19H,8-9,17H2,1H3.
What are the key properties of [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 291.78 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105205014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).