1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol

C14H12Cl2F2N2O — CID 118343085

IUPAC1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H12Cl2F2N2O/c15-11-5-20-6-12(16)14(11)13(21)7-19-4-8-1-9(17)3-10(18)2-8/h1-3,5-6,13,19,21H,4,7H2
InChIKeyFOXDGWDBKYBDTQ-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.49
Rot. Bonds5

About 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol

1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol (PubChem CID 118343085) has the molecular formula C14H12Cl2F2N2O and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
PubChem CID118343085
Molecular FormulaC14H12Cl2F2N2O
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H12Cl2F2N2O/c15-11-5-20-6-12(16)14(11)13(21)7-19-4-8-1-9(17)3-10(18)2-8/h1-3,5-6,13,19,21H,4,7H2
InChIKeyFOXDGWDBKYBDTQ-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905457
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol
CID 138000590
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol (CID 118343085) is 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol is OC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
The InChIKey is FOXDGWDBKYBDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2O/c15-11-5-20-6-12(16)14(11)13(21)7-19-4-8-1-9(17)3-10(18)2-8/h1-3,5-6,13,19,21H,4,7H2.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol?
1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol has a molecular weight of 333.17 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol is sourced from PubChem (CID 118343085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).