ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol

C17H21F2NO — CID 143560345

IUPACethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol
SMILESCC.OCCCN(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO.C2H6/c16-12-2-6-14(7-3-12)18(10-1-11-19)15-8-4-13(17)5-9-15;1-2/h2-9,19H,1,10-11H2;1-2H3
InChIKeyUBIWMECUZHJHJV-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.51
Rot. Bonds5

About ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol

ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol (PubChem CID 143560345) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol.

Molecular Properties

Compound Nameethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol
PubChem CID143560345
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol
SMILESCC.OCCCN(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO.C2H6/c16-12-2-6-14(7-3-12)18(10-1-11-19)15-8-4-13(17)5-9-15;1-2/h2-9,19H,1,10-11H2;1-2H3
InChIKeyUBIWMECUZHJHJV-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23213918
3-[4-fluoro-N-(1,3-thiazol-2-yl)anilino]propan-1-ol
CID 57428846
3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl methanesulfinate
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6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
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CID 57159857
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol
CID 57238443
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
N,N-dibutyl-4-fluoroaniline
CID 15399711

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol?
The IUPAC name of ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol (CID 143560345) is ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol.
What is the SMILES notation for ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol?
The canonical SMILES for ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol is CC.OCCCN(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol?
The InChIKey is UBIWMECUZHJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO.C2H6/c16-12-2-6-14(7-3-12)18(10-1-11-19)15-8-4-13(17)5-9-15;1-2/h2-9,19H,1,10-11H2;1-2H3.
What are the key properties of ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol?
ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol has a molecular weight of 293.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol is sourced from PubChem (CID 143560345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).