2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine

C11H18FN3O — CID 115261118

IUPAC2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
SMILESCCOc1ccc(CCNCNN)cc1F
InChIInChI=1S/C11H18FN3O/c1-2-16-11-4-3-9(7-10(11)12)5-6-14-8-15-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3
InChIKeyRXBWDPWSUDCNJO-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.78
Rot. Bonds7

About 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine

2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine (PubChem CID 115261118) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
PubChem CID115261118
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
SMILESCCOc1ccc(CCNCNN)cc1F
InChIInChI=1S/C11H18FN3O/c1-2-16-11-4-3-9(7-10(11)12)5-6-14-8-15-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3
InChIKeyRXBWDPWSUDCNJO-UHFFFAOYSA-N
XLogP0.78
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
N-(2-chloroethyl)-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115215056
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
3-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234230
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
CID 115155420
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 115163095
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine (CID 115261118) is 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine is CCOc1ccc(CCNCNN)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine?
The InChIKey is RXBWDPWSUDCNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-2-16-11-4-3-9(7-10(11)12)5-6-14-8-15-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine?
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine has a molecular weight of 227.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine is sourced from PubChem (CID 115261118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).