2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

C17H26N2O — CID 79983720

IUPAC2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-16-12-20-10-9-19(16)17(11-18)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3
InChIKeyNFXLCTJOAWAVPV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (PubChem CID 79983720) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
PubChem CID79983720
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-16-12-20-10-9-19(16)17(11-18)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3
InChIKeyNFXLCTJOAWAVPV-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (CID 79983720) is 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is CCC1COCCN1C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The InChIKey is NFXLCTJOAWAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-16-12-20-10-9-19(16)17(11-18)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-17H,2-4,9-12,18H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine has a molecular weight of 274.41 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 2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 79983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).