1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C16H26N2O2 — CID 79658250

IUPAC1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O2/c1-4-9-18-10-11-20-15(12-18)16(17-2)13-5-7-14(19-3)8-6-13/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyVGZLIWRRWBMFFH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79658250) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID79658250
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O2/c1-4-9-18-10-11-20-15(12-18)16(17-2)13-5-7-14(19-3)8-6-13/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyVGZLIWRRWBMFFH-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 79658250) is 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2ccc(OC)cc2)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is VGZLIWRRWBMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-18-10-11-20-15(12-18)16(17-2)13-5-7-14(19-3)8-6-13/h5-8,15-17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79658250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).