2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

C16H26N2O2 — CID 62132253

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-9-13(5-6-15(12)19-4)14(10-17)18-7-8-20-11-16(18,2)3/h5-6,9,14H,7-8,10-11,17H2,1-4H3
InChIKeyCURHWVZWNHMMDQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 62132253) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID62132253
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-9-13(5-6-15(12)19-4)14(10-17)18-7-8-20-11-16(18,2)3/h5-6,9,14H,7-8,10-11,17H2,1-4H3
InChIKeyCURHWVZWNHMMDQ-UHFFFAOYSA-N
XLogP2.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096523
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 61430214
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine
CID 62496621
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61429560

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (CID 62132253) is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is COc1ccc(C(CN)N2CCOCC2(C)C)cc1C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is CURHWVZWNHMMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-9-13(5-6-15(12)19-4)14(10-17)18-7-8-20-11-16(18,2)3/h5-6,9,14H,7-8,10-11,17H2,1-4H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 62132253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).