(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol

C14H18FN3O — CID 78941099

IUPAC(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H18FN3O/c1-10(19)12-8-11(15)4-5-13(12)18(3)9-14-16-6-7-17(14)2/h4-8,10,19H,9H2,1-3H3/t10-/m1/s1
InChIKeyZHLRFEJWBUNQQV-SNVBAGLBSA-N
MW263.32 g/mol
LogP2.25
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol

(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol (PubChem CID 78941099) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
PubChem CID78941099
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H18FN3O/c1-10(19)12-8-11(15)4-5-13(12)18(3)9-14-16-6-7-17(14)2/h4-8,10,19H,9H2,1-3H3/t10-/m1/s1
InChIKeyZHLRFEJWBUNQQV-SNVBAGLBSA-N
XLogP2.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
CID 133432083
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
(1R)-1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluorophenyl]ethanol
CID 78940158

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol (CID 78941099) is (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol is C[C@@H](O)c1cc(F)ccc1N(C)Cc1nccn1C.
What is the InChIKey of (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The InChIKey is ZHLRFEJWBUNQQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(19)12-8-11(15)4-5-13(12)18(3)9-14-16-6-7-17(14)2/h4-8,10,19H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol has a molecular weight of 263.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 78941099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).