2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol

C15H22FN3O — CID 170631489

IUPAC2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol
SMILESN/C=C\C=N\CCCNC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h1,3-8,15,19-20H,2,9-12,17H2/b7-1-,18-8+
InChIKeyOSJBOANZMRRGPA-IZMNHMOFSA-N
MW279.36 g/mol
LogP1.25
Rot. Bonds9

About 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol

2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 170631489) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol
PubChem CID170631489
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol
SMILESN/C=C\C=N\CCCNC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h1,3-8,15,19-20H,2,9-12,17H2/b7-1-,18-8+
InChIKeyOSJBOANZMRRGPA-IZMNHMOFSA-N
XLogP1.25
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol (CID 170631489) is 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol is N/C=C\C=N\CCCNC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is OSJBOANZMRRGPA-IZMNHMOFSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h1,3-8,15,19-20H,2,9-12,17H2/b7-1-,18-8+.
What are the key properties of 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol?
2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 279.36 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 170631489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).