2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine

C17H28N2O — CID 105347526

IUPAC2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
SMILESCCC1COC(C)CN1Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C17H28N2O/c1-4-17-12-20-14(3)10-19(17)11-15-5-7-16(8-6-15)13(2)9-18/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyYNFUOERAGXYQFB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds5

About 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine

2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine (PubChem CID 105347526) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
PubChem CID105347526
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
SMILESCCC1COC(C)CN1Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C17H28N2O/c1-4-17-12-20-14(3)10-19(17)11-15-5-7-16(8-6-15)13(2)9-18/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyYNFUOERAGXYQFB-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-ethylphenyl)ethanamine
CID 61424037
2-(4-chlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
CID 61424086
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 61424137
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 62628976
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
CID 61424175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine (CID 105347526) is 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine is CCC1COC(C)CN1Cc1ccc(C(C)CN)cc1.
What is the InChIKey of 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine?
The InChIKey is YNFUOERAGXYQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17-12-20-14(3)10-19(17)11-15-5-7-16(8-6-15)13(2)9-18/h5-8,13-14,17H,4,9-12,18H2,1-3H3.
What are the key properties of 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine?
2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).