N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C15H22BrClN2O — CID 81497365

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)cc1Br)N1CCOCC1
InChIInChI=1S/C15H22BrClN2O/c1-15(2,19-5-7-20-8-6-19)11-18-10-12-3-4-13(17)9-14(12)16/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyYUCXOFGEBBWMSX-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 81497365) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID81497365
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)cc1Br)N1CCOCC1
InChIInChI=1S/C15H22BrClN2O/c1-15(2,19-5-7-20-8-6-19)11-18-10-12-3-4-13(17)9-14(12)16/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyYUCXOFGEBBWMSX-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
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
N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460580
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79611444
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 81497365) is N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(C)(CNCc1ccc(Cl)cc1Br)N1CCOCC1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is YUCXOFGEBBWMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-15(2,19-5-7-20-8-6-19)11-18-10-12-3-4-13(17)9-14(12)16/h3-4,9,18H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 361.71 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 81497365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).