1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane

C26H40F2N2O2 — CID 142399591

IUPAC1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane
SMILESCC.CC.CCOCCCNNC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H28F2N2O2.2C2H6/c1-2-27-13-3-12-25-26-22(17-6-9-19(23)10-7-17)18-8-11-20(24)21(14-18)28-15-16-4-5-16;2*1-2/h6-11,14,16,22,25-26H,2-5,12-13,15H2,1H3;2*1-2H3
InChIKeyBHTORMNJXMXBPL-UHFFFAOYSA-N
MW450.61 g/mol
LogP6.42
Rot. Bonds12

About 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane

1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane (PubChem CID 142399591) has the molecular formula C26H40F2N2O2 and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane.

Molecular Properties

Compound Name1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane
PubChem CID142399591
Molecular FormulaC26H40F2N2O2
Molecular Weight450.61 g/mol
Exact Mass450.31
IUPAC Name1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane
SMILESCC.CC.CCOCCCNNC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H28F2N2O2.2C2H6/c1-2-27-13-3-12-25-26-22(17-6-9-19(23)10-7-17)18-8-11-20(24)21(14-18)28-15-16-4-5-16;2*1-2/h6-11,14,16,22,25-26H,2-5,12-13,15H2,1H3;2*1-2H3
InChIKeyBHTORMNJXMXBPL-UHFFFAOYSA-N
XLogP6.42
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352906
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
CID 142361186
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
6-[3-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hydrazinyl]propyl]-1H-quinazoline-2,4-dione
CID 142361181
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142399677
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
N'-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,2-dimethylpropyl]hexane-1,6-diamine
CID 142361235

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane?
The IUPAC name of 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane (CID 142399591) is 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane.
What is the SMILES notation for 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane?
The canonical SMILES for 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane is CC.CC.CCOCCCNNC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane?
The InChIKey is BHTORMNJXMXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O2.2C2H6/c1-2-27-13-3-12-25-26-22(17-6-9-19(23)10-7-17)18-8-11-20(24)21(14-18)28-15-16-4-5-16;2*1-2/h6-11,14,16,22,25-26H,2-5,12-13,15H2,1H3;2*1-2H3.
What are the key properties of 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane?
1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane has a molecular weight of 450.61 g/mol, XLogP of 6.42, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane is sourced from PubChem (CID 142399591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).