2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine

C15H24N2O — CID 63786701

IUPAC2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
SMILESCc1cc(N2CCOCC2(C)C)ccc1CCN
InChIInChI=1S/C15H24N2O/c1-12-10-14(5-4-13(12)6-7-16)17-8-9-18-11-15(17,2)3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyYXNYRFVYPCCPPV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine

2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine (PubChem CID 63786701) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
PubChem CID63786701
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
SMILESCc1cc(N2CCOCC2(C)C)ccc1CCN
InChIInChI=1S/C15H24N2O/c1-12-10-14(5-4-13(12)6-7-16)17-8-9-18-11-15(17,2)3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyYXNYRFVYPCCPPV-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine (CID 63786701) is 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine is Cc1cc(N2CCOCC2(C)C)ccc1CCN.
What is the InChIKey of 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine?
The InChIKey is YXNYRFVYPCCPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-10-14(5-4-13(12)6-7-16)17-8-9-18-11-15(17,2)3/h4-5,10H,6-9,11,16H2,1-3H3.
What are the key properties of 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine?
2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine is sourced from PubChem (CID 63786701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).