[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol

C15H23BrN2O2 — CID 82967971

IUPAC[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCNC(C)c1cc(Br)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(16)6-14(15)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3
InChIKeyIQTQLKQKELZRCQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.32
Rot. Bonds4

About [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol

[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 82967971) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
PubChem CID82967971
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCNC(C)c1cc(Br)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(16)6-14(15)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3
InChIKeyIQTQLKQKELZRCQ-UHFFFAOYSA-N
XLogP2.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol (CID 82967971) is [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol is CNC(C)c1cc(Br)ccc1N1CC(CO)OCC1C.
What is the InChIKey of [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is IQTQLKQKELZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(16)6-14(15)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3.
What are the key properties of [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 343.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 82967971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).