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

C15H23BrN2O2 — CID 81204225

IUPAC[4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCNC(C)c1ccc(N2CC(CO)OCC2C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(6-14(15)16)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3
InChIKeyKSAGTIPORWUSMN-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.32
Rot. Bonds4

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

[4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81204225) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81204225
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name[4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCNC(C)c1ccc(N2CC(CO)OCC2C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(6-14(15)16)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3
InChIKeyKSAGTIPORWUSMN-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

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
CID 82967971
3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 82804864
1-[3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]phenyl]ethanone
CID 81204142
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 62911163
[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204825
5-bromo-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 114891967
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
[4-(4-bromo-2-nitrophenyl)-5-methylmorpholin-2-yl]methanol
CID 81218880
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylethanamine
CID 62974132
1-[3-bromo-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylethanamine
CID 102883963
1-[3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 66391336

Frequently Asked Questions

What is the IUPAC name of [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol (CID 81204225) is [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol is CNC(C)c1ccc(N2CC(CO)OCC2C)c(Br)c1.
What is the InChIKey of [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is KSAGTIPORWUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10-9-20-13(8-19)7-18(10)15-5-4-12(6-14(15)16)11(2)17-3/h4-6,10-11,13,17,19H,7-9H2,1-3H3.
What are the key properties of [4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-bromo-4-[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-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81204225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).