1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol

C15H23FN2O — CID 55172587

IUPAC1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H23FN2O/c1-11(19)14-8-13(16)4-5-15(14)18(3)10-12-6-7-17(2)9-12/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3
InChIKeyRZRXSPBEIICCIT-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol

1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol (PubChem CID 55172587) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
PubChem CID55172587
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H23FN2O/c1-11(19)14-8-13(16)4-5-15(14)18(3)10-12-6-7-17(2)9-12/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3
InChIKeyRZRXSPBEIICCIT-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
(1R)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 78941209
(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol (CID 55172587) is 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol is CC(O)c1cc(F)ccc1N(C)CC1CCN(C)C1.
What is the InChIKey of 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol?
The InChIKey is RZRXSPBEIICCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(19)14-8-13(16)4-5-15(14)18(3)10-12-6-7-17(2)9-12/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol?
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 55172587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).