1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine

C16H26N2O — CID 63787083

IUPAC1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOC(C)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-15(17)10-14-5-6-16(9-12(14)2)18-7-8-19-13(3)11-18/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyARPHZIUYYHGPIQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine

1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine (PubChem CID 63787083) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
PubChem CID63787083
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOC(C)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-4-15(17)10-14-5-6-16(9-12(14)2)18-7-8-19-13(3)11-18/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyARPHZIUYYHGPIQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
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-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine (CID 63787083) is 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCOC(C)C2)cc1C.
What is the InChIKey of 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The InChIKey is ARPHZIUYYHGPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(17)10-14-5-6-16(9-12(14)2)18-7-8-19-13(3)11-18/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63787083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).