1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine

C17H28N2O — CID 63785824

IUPAC1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOCC2CC)cc1C
InChIInChI=1S/C17H28N2O/c1-4-15(18)11-14-6-7-17(10-13(14)3)19-8-9-20-12-16(19)5-2/h6-7,10,15-16H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyCCKGUIHEMRIHOZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine

1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine (PubChem CID 63785824) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
PubChem CID63785824
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOCC2CC)cc1C
InChIInChI=1S/C17H28N2O/c1-4-15(18)11-14-6-7-17(10-13(14)3)19-8-9-20-12-16(19)5-2/h6-7,10,15-16H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyCCKGUIHEMRIHOZ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine (CID 63785824) is 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCOCC2CC)cc1C.
What is the InChIKey of 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine?
The InChIKey is CCKGUIHEMRIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15(18)11-14-6-7-17(10-13(14)3)19-8-9-20-12-16(19)5-2/h6-7,10,15-16H,4-5,8-9,11-12,18H2,1-3H3.
What are the key properties of 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine?
1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63785824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).