(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol

C14H21BrN2O2 — CID 95751208

IUPAC(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
SMILESCN1CCO[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O2/c1-17-6-7-19-13(10-17)8-16-9-14(18)11-2-4-12(15)5-3-11/h2-5,13-14,16,18H,6-10H2,1H3/t13-,14+/m1/s1
InChIKeyLCCRUAIGTQBCRT-KGLIPLIRSA-N
MW329.24 g/mol
LogP1.40
Rot. Bonds5

About (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol

(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol (PubChem CID 95751208) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
PubChem CID95751208
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
SMILESCN1CCO[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O2/c1-17-6-7-19-13(10-17)8-16-9-14(18)11-2-4-12(15)5-3-11/h2-5,13-14,16,18H,6-10H2,1H3/t13-,14+/m1/s1
InChIKeyLCCRUAIGTQBCRT-KGLIPLIRSA-N
XLogP1.40
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol (CID 95751208) is (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol is CN1CCO[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol?
The InChIKey is LCCRUAIGTQBCRT-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-17-6-7-19-13(10-17)8-16-9-14(18)11-2-4-12(15)5-3-11/h2-5,13-14,16,18H,6-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol?
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol has a molecular weight of 329.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol is sourced from PubChem (CID 95751208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).