1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine

C17H28N2O — CID 79065259

IUPAC1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)(CC)N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-14-6-8-15(9-7-14)16(18)17(3,5-2)19-10-12-20-13-11-19/h6-9,16H,4-5,10-13,18H2,1-3H3
InChIKeyNNZQPOYGQBAIPJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine

1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 79065259) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
PubChem CID79065259
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)(CC)N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-14-6-8-15(9-7-14)16(18)17(3,5-2)19-10-12-20-13-11-19/h6-9,16H,4-5,10-13,18H2,1-3H3
InChIKeyNNZQPOYGQBAIPJ-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

1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79057610
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79065855
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955
2-methyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79051741
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine (CID 79065259) is 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine is CCc1ccc(C(N)C(C)(CC)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is NNZQPOYGQBAIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-6-8-15(9-7-14)16(18)17(3,5-2)19-10-12-20-13-11-19/h6-9,16H,4-5,10-13,18H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-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 1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 79065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).