2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol

C18H21FN2O2 — CID 144795621

IUPAC2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)(CN)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C18H21FN2O2/c1-11-9-12(3-6-14(11)19)17-15(23-2)7-8-16(21-17)18(22,10-20)13-4-5-13/h3,6-9,13,22H,4-5,10,20H2,1-2H3
InChIKeyMPIYBVNEDOGRID-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol

2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol (PubChem CID 144795621) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol
PubChem CID144795621
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)(CN)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C18H21FN2O2/c1-11-9-12(3-6-14(11)19)17-15(23-2)7-8-16(21-17)18(22,10-20)13-4-5-13/h3,6-9,13,22H,4-5,10,20H2,1-2H3
InChIKeyMPIYBVNEDOGRID-UHFFFAOYSA-N
XLogP2.76
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol with MolForge

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Related Compounds

(2R)-2-[[6-(3,4-difluoro-5-methoxyphenyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312869
2-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]ethanol
CID 172440707
3-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172451577
3-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172464980
2-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]ethanol
CID 172468583
2-(Tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 21428403
2-Amino-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 134990468
4-(6-Fluoro-5-methoxy-2-pyridinyl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol
CID 11372311
2-Methyl-6-{4-[1-(4-fluorophenyl)-1-hydroxypropyl]-phenoxymethyl}-pyridine
CID 13882400
1-[4-[(6-Methylpyridin-2-yl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 13882407
3-[3-Hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol
CID 22000214
4-(5-Fluoro-2-methoxyphenyl)-2-(4,6-dimethylpyridin-2-ylmethyl)-4-methylpentan-2-ol
CID 22398636

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol?
The IUPAC name of 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol (CID 144795621) is 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol is COc1ccc(C(O)(CN)C2CC2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol?
The InChIKey is MPIYBVNEDOGRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11-9-12(3-6-14(11)19)17-15(23-2)7-8-16(21-17)18(22,10-20)13-4-5-13/h3,6-9,13,22H,4-5,10,20H2,1-2H3.
What are the key properties of 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol?
2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol has a molecular weight of 316.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]ethanol is sourced from PubChem (CID 144795621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).