2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine

C17H28N2O2 — CID 61429670

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)21-15-7-5-14(6-8-15)16(11-18)19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyFIAGUGHXVQRGGB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.58
Rot. Bonds5

About 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 61429670) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID61429670
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)21-15-7-5-14(6-8-15)16(11-18)19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyFIAGUGHXVQRGGB-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine (CID 61429670) is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(CN)N2CCOCC2(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is FIAGUGHXVQRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)21-15-7-5-14(6-8-15)16(11-18)19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.58, 5 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-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 61429670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).