2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol

C15H23BrN2O2 — CID 60658294

IUPAC2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
SMILESCC(C)(CNCc1ccc(O)c(Br)c1)N1CCOCC1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,18-5-7-20-8-6-18)11-17-10-12-3-4-14(19)13(16)9-12/h3-4,9,17,19H,5-8,10-11H2,1-2H3
InChIKeyHOERCKWNGXKBCE-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.36
Rot. Bonds5

About 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol

2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol (PubChem CID 60658294) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
PubChem CID60658294
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
SMILESCC(C)(CNCc1ccc(O)c(Br)c1)N1CCOCC1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,18-5-7-20-8-6-18)11-17-10-12-3-4-14(19)13(16)9-12/h3-4,9,17,19H,5-8,10-11H2,1-2H3
InChIKeyHOERCKWNGXKBCE-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol
CID 107685334
2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 28643403
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114936331
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 119106608
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
CID 114169005
1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45183430
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol (CID 60658294) is 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol is CC(C)(CNCc1ccc(O)c(Br)c1)N1CCOCC1.
What is the InChIKey of 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
The InChIKey is HOERCKWNGXKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,18-5-7-20-8-6-18)11-17-10-12-3-4-14(19)13(16)9-12/h3-4,9,17,19H,5-8,10-11H2,1-2H3.
What are the key properties of 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol?
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol has a molecular weight of 343.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol is sourced from PubChem (CID 60658294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).