N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C17H28N2O — CID 79093560

IUPACN-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-5-6-18-17(16-12-19(4)7-8-20-16)15-10-13(2)9-14(3)11-15/h9-11,16-18H,5-8,12H2,1-4H3
InChIKeyICOLIZZTMXLKTQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.67
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79093560) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79093560
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-5-6-18-17(16-12-19(4)7-8-20-16)15-10-13(2)9-14(3)11-15/h9-11,16-18H,5-8,12H2,1-4H3
InChIKeyICOLIZZTMXLKTQ-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
[(3,5-dimethylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247957
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79093560) is N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)C1CN(C)CCO1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is ICOLIZZTMXLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-6-18-17(16-12-19(4)7-8-20-16)15-10-13(2)9-14(3)11-15/h9-11,16-18H,5-8,12H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79093560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).