2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine

C16H26N2O — CID 105347112

IUPAC2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
SMILESCCC1COCCN1Cc1ccc(CCNC)cc1
InChIInChI=1S/C16H26N2O/c1-3-16-13-19-11-10-18(16)12-15-6-4-14(5-7-15)8-9-17-2/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyRNDZDPKTFQPXPA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine

2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 105347112) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
PubChem CID105347112
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
SMILESCCC1COCCN1Cc1ccc(CCNC)cc1
InChIInChI=1S/C16H26N2O/c1-3-16-13-19-11-10-18(16)12-15-6-4-14(5-7-15)8-9-17-2/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyRNDZDPKTFQPXPA-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine (CID 105347112) is 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine is CCC1COCCN1Cc1ccc(CCNC)cc1.
What is the InChIKey of 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is RNDZDPKTFQPXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16-13-19-11-10-18(16)12-15-6-4-14(5-7-15)8-9-17-2/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine?
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 105347112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).