3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol

C15H19F2NO — CID 82074388

IUPAC3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO/c1-3-8-18(9-4-2)10-7-15(19)13-11-12(16)5-6-14(13)17/h3-6,11,15,19H,1-2,7-10H2
InChIKeyDNRZMRURGVZCRV-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.06
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol

3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol (PubChem CID 82074388) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol
PubChem CID82074388
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO/c1-3-8-18(9-4-2)10-7-15(19)13-11-12(16)5-6-14(13)17/h3-6,11,15,19H,1-2,7-10H2
InChIKeyDNRZMRURGVZCRV-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 7059596
Etafedrine
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2-Amino-1-(4-fluorophenyl)ethan-1-ol
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Methylephedrine, (+)-
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10S-hydroxylobel-7-ene
CID 10687251
8S-hydroxylobel-9-ene
CID 12018177

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol (CID 82074388) is 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol is C=CCN(CC=C)CCC(O)c1cc(F)ccc1F.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is DNRZMRURGVZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-3-8-18(9-4-2)10-7-15(19)13-11-12(16)5-6-14(13)17/h3-6,11,15,19H,1-2,7-10H2.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol?
3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 267.32 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 82074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).