4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol

C16H23FN2O2 — CID 89080358

IUPAC4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol
SMILESC=C(c1c(O)ccc(F)c1OC)N(C)CC1CCCN1C
InChIInChI=1S/C16H23FN2O2/c1-11(19(3)10-12-6-5-9-18(12)2)15-14(20)8-7-13(17)16(15)21-4/h7-8,12,20H,1,5-6,9-10H2,2-4H3
InChIKeyQQZMJPBLAOWQJQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.54
Rot. Bonds5

About 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol

4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol (PubChem CID 89080358) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol
PubChem CID89080358
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol
SMILESC=C(c1c(O)ccc(F)c1OC)N(C)CC1CCCN1C
InChIInChI=1S/C16H23FN2O2/c1-11(19(3)10-12-6-5-9-18(12)2)15-14(20)8-7-13(17)16(15)21-4/h7-8,12,20H,1,5-6,9-10H2,2-4H3
InChIKeyQQZMJPBLAOWQJQ-UHFFFAOYSA-N
XLogP2.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol?
The IUPAC name of 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol (CID 89080358) is 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol.
What is the SMILES notation for 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol?
The canonical SMILES for 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol is C=C(c1c(O)ccc(F)c1OC)N(C)CC1CCCN1C.
What is the InChIKey of 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol?
The InChIKey is QQZMJPBLAOWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(19(3)10-12-6-5-9-18(12)2)15-14(20)8-7-13(17)16(15)21-4/h7-8,12,20H,1,5-6,9-10H2,2-4H3.
What are the key properties of 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol?
4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol has a molecular weight of 294.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethenyl]phenol is sourced from PubChem (CID 89080358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).