5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine

C19H32FN3O — CID 142361186

IUPAC5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
SMILESCC(C)C(NNCCCCCN)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H32FN3O/c1-14(2)19(23-22-11-5-3-4-10-21)16-8-9-17(20)18(12-16)24-13-15-6-7-15/h8-9,12,14-15,19,22-23H,3-7,10-11,13,21H2,1-2H3
InChIKeyWABMCISFNOBQCO-UHFFFAOYSA-N
MW337.48 g/mol
LogP3.53
Rot. Bonds12

About 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine

5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine (PubChem CID 142361186) has the molecular formula C19H32FN3O and a molecular weight of 337.48 g/mol. Its IUPAC name is 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine.

Molecular Properties

Compound Name5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
PubChem CID142361186
Molecular FormulaC19H32FN3O
Molecular Weight337.48 g/mol
Exact Mass337.25
IUPAC Name5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
SMILESCC(C)C(NNCCCCCN)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H32FN3O/c1-14(2)19(23-22-11-5-3-4-10-21)16-8-9-17(20)18(12-16)24-13-15-6-7-15/h8-9,12,14-15,19,22-23H,3-7,10-11,13,21H2,1-2H3
InChIKeyWABMCISFNOBQCO-UHFFFAOYSA-N
XLogP3.53
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine?
The IUPAC name of 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine (CID 142361186) is 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine.
What is the SMILES notation for 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine?
The canonical SMILES for 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine is CC(C)C(NNCCCCCN)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine?
The InChIKey is WABMCISFNOBQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O/c1-14(2)19(23-22-11-5-3-4-10-21)16-8-9-17(20)18(12-16)24-13-15-6-7-15/h8-9,12,14-15,19,22-23H,3-7,10-11,13,21H2,1-2H3.
What are the key properties of 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine?
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine has a molecular weight of 337.48 g/mol, XLogP of 3.53, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine is sourced from PubChem (CID 142361186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).