[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine

C14H21FN2O2 — CID 114242090

IUPAC[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCOCC2C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9-8-19-6-5-11(9)14(17-16)10-3-4-13(18-2)12(15)7-10/h3-4,7,9,11,14,17H,5-6,8,16H2,1-2H3
InChIKeyPGBRGRSFOWEOBA-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.01
Rot. Bonds4

About [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine

[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine (PubChem CID 114242090) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine
PubChem CID114242090
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCOCC2C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9-8-19-6-5-11(9)14(17-16)10-3-4-13(18-2)12(15)7-10/h3-4,7,9,11,14,17H,5-6,8,16H2,1-2H3
InChIKeyPGBRGRSFOWEOBA-UHFFFAOYSA-N
XLogP2.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.01
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-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
[(2,2-dimethylcyclopentyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107193846
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105249366
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
CID 114241898
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
[(3,4-dimethoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105301173
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[(4-fluoro-3-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107193800
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine (CID 114242090) is [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine is COc1ccc(C(NN)C2CCOCC2C)cc1F.
What is the InChIKey of [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine?
The InChIKey is PGBRGRSFOWEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-8-19-6-5-11(9)14(17-16)10-3-4-13(18-2)12(15)7-10/h3-4,7,9,11,14,17H,5-6,8,16H2,1-2H3.
What are the key properties of [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine?
[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine has a molecular weight of 268.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 114242090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).