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

C16H26N2O — CID 79657622

IUPACN-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-11-19-15(12-18)16(17-3)14-7-5-13(2)6-8-14/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyCVOYXSGJXVGGBG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds5

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

N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79657622) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID79657622
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-11-19-15(12-18)16(17-3)14-7-5-13(2)6-8-14/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyCVOYXSGJXVGGBG-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine (CID 79657622) is N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2ccc(C)cc2)C1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is CVOYXSGJXVGGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-18-10-11-19-15(12-18)16(17-3)14-7-5-13(2)6-8-14/h5-8,15-17H,4,9-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine?
N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79657622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).