2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

C17H28N2O — CID 79663107

IUPAC2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCc1ccc(CC(N)C2CN(C(C)C)CCO2)cc1C
InChIInChI=1S/C17H28N2O/c1-12(2)19-7-8-20-17(11-19)16(18)10-15-6-5-13(3)14(4)9-15/h5-6,9,12,16-17H,7-8,10-11,18H2,1-4H3
InChIKeyKFIIXLRHCBQQDL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.28
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 79663107) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
PubChem CID79663107
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCc1ccc(CC(N)C2CN(C(C)C)CCO2)cc1C
InChIInChI=1S/C17H28N2O/c1-12(2)19-7-8-20-17(11-19)16(18)10-15-6-5-13(3)14(4)9-15/h5-6,9,12,16-17H,7-8,10-11,18H2,1-4H3
InChIKeyKFIIXLRHCBQQDL-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663557
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
CID 79665940
1-(4-propan-2-ylmorpholin-2-yl)decan-1-amine
CID 79664269
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093851
[(3-fluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107130834

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (CID 79663107) is 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is Cc1ccc(CC(N)C2CN(C(C)C)CCO2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is KFIIXLRHCBQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)19-7-8-20-17(11-19)16(18)10-15-6-5-13(3)14(4)9-15/h5-6,9,12,16-17H,7-8,10-11,18H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).