[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H23BrN2O2 — CID 114777542

IUPAC[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H23BrN2O2/c1-15(2)10-18(8-13(9-19)20-15)14-6-12(16)5-4-11(14)7-17-3/h4-6,13,17,19H,7-10H2,1-3H3
InChIKeyMHZDFDYOZQIKBX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.14
Rot. Bonds4

About [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777542) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777542
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H23BrN2O2/c1-15(2)10-18(8-13(9-19)20-15)14-6-12(16)5-4-11(14)7-17-3/h4-6,13,17,19H,7-10H2,1-3H3
InChIKeyMHZDFDYOZQIKBX-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777539
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779373
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114777535
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114777542) is [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is CNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MHZDFDYOZQIKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2)10-18(8-13(9-19)20-15)14-6-12(16)5-4-11(14)7-17-3/h4-6,13,17,19H,7-10H2,1-3H3.
What are the key properties of [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 343.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).