1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol

C17H20F2N2O — CID 25115701

IUPAC1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol
SMILESCC(CCc1ccncc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-12(2-3-13-6-8-20-9-7-13)21-11-17(22)15-5-4-14(18)10-16(15)19/h4-10,12,17,21-22H,2-3,11H2,1H3
InChIKeyMVGHKCHTXIMTHD-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.00
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol

1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol (PubChem CID 25115701) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol
PubChem CID25115701
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol
SMILESCC(CCc1ccncc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-12(2-3-13-6-8-20-9-7-13)21-11-17(22)15-5-4-14(18)10-16(15)19/h4-10,12,17,21-22H,2-3,11H2,1H3
InChIKeyMVGHKCHTXIMTHD-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol (CID 25115701) is 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol is CC(CCc1ccncc1)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol?
The InChIKey is MVGHKCHTXIMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-12(2-3-13-6-8-20-9-7-13)21-11-17(22)15-5-4-14(18)10-16(15)19/h4-10,12,17,21-22H,2-3,11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol?
1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol has a molecular weight of 306.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol is sourced from PubChem (CID 25115701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).