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

C16H26N2O — CID 55236412

IUPAC1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1CCOC(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-12-9-14(10-13(2)17)5-6-15(12)18-7-8-19-16(3,4)11-18/h5-6,9,13H,7-8,10-11,17H2,1-4H3
InChIKeyVVSVMWRJCCMLAH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds3

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

1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine (PubChem CID 55236412) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
PubChem CID55236412
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1CCOC(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-12-9-14(10-13(2)17)5-6-15(12)18-7-8-19-16(3,4)11-18/h5-6,9,13H,7-8,10-11,17H2,1-4H3
InChIKeyVVSVMWRJCCMLAH-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine (CID 55236412) is 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine is Cc1cc(CC(C)N)ccc1N1CCOC(C)(C)C1.
What is the InChIKey of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The InChIKey is VVSVMWRJCCMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-14(10-13(2)17)5-6-15(12)18-7-8-19-16(3,4)11-18/h5-6,9,13H,7-8,10-11,17H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 3 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]propan-2-amine is sourced from PubChem (CID 55236412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).