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

C17H28N2O — CID 63785497

IUPAC1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2O/c1-5-15(18)11-14-6-7-16(13(2)10-14)19-8-9-20-17(3,4)12-19/h6-7,10,15H,5,8-9,11-12,18H2,1-4H3
InChIKeyXDCQWEUDFLNSBQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds4

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

1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine (PubChem CID 63785497) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine
PubChem CID63785497
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2O/c1-5-15(18)11-14-6-7-16(13(2)10-14)19-8-9-20-17(3,4)12-19/h6-7,10,15H,5,8-9,11-12,18H2,1-4H3
InChIKeyXDCQWEUDFLNSBQ-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine (CID 63785497) is 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCOC(C)(C)C2)c(C)c1.
What is the InChIKey of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine?
The InChIKey is XDCQWEUDFLNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15(18)11-14-6-7-16(13(2)10-14)19-8-9-20-17(3,4)12-19/h6-7,10,15H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine?
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 63785497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).