1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine

C16H26N2O — CID 55016533

IUPAC1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCOCC1C
InChIInChI=1S/C16H26N2O/c1-4-15(17)16(14-7-5-12(2)6-8-14)18-9-10-19-11-13(18)3/h5-8,13,15-16H,4,9-11,17H2,1-3H3
InChIKeyFHTCWHVAPFZWFK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine

1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine (PubChem CID 55016533) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine
PubChem CID55016533
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCOCC1C
InChIInChI=1S/C16H26N2O/c1-4-15(17)16(14-7-5-12(2)6-8-14)18-9-10-19-11-13(18)3/h5-8,13,15-16H,4,9-11,17H2,1-3H3
InChIKeyFHTCWHVAPFZWFK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine (CID 55016533) is 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(c1ccc(C)cc1)N1CCOCC1C.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is FHTCWHVAPFZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(17)16(14-7-5-12(2)6-8-14)18-9-10-19-11-13(18)3/h5-8,13,15-16H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine?
1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 55016533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).