(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol

C15H17BrN2O — CID 55183198

IUPAC(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11(19)12-6-7-15(14(16)9-12)18(2)10-13-5-3-4-8-17-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyGYLAXRMPXWOLOZ-LLVKDONJSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds4

About (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol

(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 55183198) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
PubChem CID55183198
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11(19)12-6-7-15(14(16)9-12)18(2)10-13-5-3-4-8-17-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyGYLAXRMPXWOLOZ-LLVKDONJSA-N
XLogP3.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 63370919
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
(1S)-1-[3-bromo-4-[(2-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78944634
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
CID 63372756
1-[3-bromo-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
CID 62909222
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol (CID 55183198) is (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2ccccn2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is GYLAXRMPXWOLOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(19)12-6-7-15(14(16)9-12)18(2)10-13-5-3-4-8-17-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 321.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 55183198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).