[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine

C16H27FN2O — CID 105293002

IUPAC[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
SMILESCCCCC(CC)C(Cc1ccc(OC)c(F)c1)NN
InChIInChI=1S/C16H27FN2O/c1-4-6-7-13(5-2)15(19-18)11-12-8-9-16(20-3)14(17)10-12/h8-10,13,15,19H,4-7,11,18H2,1-3H3
InChIKeyPCCAYGUCWQVYIO-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.43
Rot. Bonds9

About [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine

[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine (PubChem CID 105293002) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
PubChem CID105293002
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
SMILESCCCCC(CC)C(Cc1ccc(OC)c(F)c1)NN
InChIInChI=1S/C16H27FN2O/c1-4-6-7-13(5-2)15(19-18)11-12-8-9-16(20-3)14(17)10-12/h8-10,13,15,19H,4-7,11,18H2,1-3H3
InChIKeyPCCAYGUCWQVYIO-UHFFFAOYSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
[3-ethyl-1-(4-propan-2-ylphenyl)heptan-2-yl]hydrazine
CID 105297263
[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705
[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105227140
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
[1-(2-bromo-4-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105296661
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
CID 105289972

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine?
The IUPAC name of [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine (CID 105293002) is [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine.
What is the SMILES notation for [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine?
The canonical SMILES for [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine is CCCCC(CC)C(Cc1ccc(OC)c(F)c1)NN.
What is the InChIKey of [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine?
The InChIKey is PCCAYGUCWQVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-6-7-13(5-2)15(19-18)11-12-8-9-16(20-3)14(17)10-12/h8-10,13,15,19H,4-7,11,18H2,1-3H3.
What are the key properties of [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine?
[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine has a molecular weight of 282.40 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine is sourced from PubChem (CID 105293002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).