N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine

C15H22BrClN2O — CID 66159173

IUPACN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1OCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2O/c1-10(2)18-9-14-15(19(3)6-7-20-14)12-8-11(17)4-5-13(12)16/h4-5,8,10,14-15,18H,6-7,9H2,1-3H3
InChIKeyJHDVUMKAIKUYDT-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.47
Rot. Bonds4

About N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine

N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine (PubChem CID 66159173) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
PubChem CID66159173
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1OCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2O/c1-10(2)18-9-14-15(19(3)6-7-20-14)12-8-11(17)4-5-13(12)16/h4-5,8,10,14-15,18H,6-7,9H2,1-3H3
InChIKeyJHDVUMKAIKUYDT-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
N-[[3-(2-ethylpyrazol-3-yl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 114557715
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
CID 66159561
N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 66159756
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 115381375
N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 102844603

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine (CID 66159173) is N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine is CC(C)NCC1OCCN(C)C1c1cc(Cl)ccc1Br.
What is the InChIKey of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The InChIKey is JHDVUMKAIKUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-10(2)18-9-14-15(19(3)6-7-20-14)12-8-11(17)4-5-13(12)16/h4-5,8,10,14-15,18H,6-7,9H2,1-3H3.
What are the key properties of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine has a molecular weight of 361.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66159173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).