2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine

C16H26N2O — CID 43542037

IUPAC2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CN2CCOCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-14-5-7-15(8-6-14)16(17)11-18-9-10-19-12-13(18)2/h5-8,13,16H,3-4,9-12,17H2,1-2H3
InChIKeyBETBVIJWYSGKIO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds5

About 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine

2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine (PubChem CID 43542037) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
PubChem CID43542037
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CN2CCOCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-14-5-7-15(8-6-14)16(17)11-18-9-10-19-12-13(18)2/h5-8,13,16H,3-4,9-12,17H2,1-2H3
InChIKeyBETBVIJWYSGKIO-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-1-(4-propylphenyl)ethanamine
CID 16792951
2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43613076
2-(3-methylmorpholin-4-yl)-1-(2-methylphenyl)ethanamine
CID 43542047
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
1-(4-propylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052836
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43613115

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine (CID 43542037) is 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)CN2CCOCC2C)cc1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine?
The InChIKey is BETBVIJWYSGKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-14-5-7-15(8-6-14)16(17)11-18-9-10-19-12-13(18)2/h5-8,13,16H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine?
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43542037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).