[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol

C16H25BrN2O2 — CID 114777236

IUPAC[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNC(C)c1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-11(18-4)14-6-5-12(17)7-15(14)19-8-13(9-20)21-16(2,3)10-19/h5-7,11,13,18,20H,8-10H2,1-4H3
InChIKeyMXPGWEHDGXEHKC-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.71
Rot. Bonds4

About [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777236) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777236
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNC(C)c1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-11(18-4)14-6-5-12(17)7-15(14)19-8-13(9-20)21-16(2,3)10-19/h5-7,11,13,18,20H,8-10H2,1-4H3
InChIKeyMXPGWEHDGXEHKC-UHFFFAOYSA-N
XLogP2.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777542
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779373
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 82970938
1-[4-bromo-2-(3,3,4-trimethylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968171
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
CID 104969884
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114777535
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
CID 114777220
1-[4-bromo-2-(4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82972089

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114777236) is [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol is CNC(C)c1ccc(Br)cc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MXPGWEHDGXEHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-11(18-4)14-6-5-12(17)7-15(14)19-8-13(9-20)21-16(2,3)10-19/h5-7,11,13,18,20H,8-10H2,1-4H3.
What are the key properties of [4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 357.29 g/mol, XLogP of 2.71, 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-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).