N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine

C16H19NO — CID 43285101

IUPACN-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-12-8-10-14(11-9-12)18-16-7-5-4-6-15(16)13(2)17-3/h4-11,13,17H,1-3H3
InChIKeyOOXDLOHZHJLEFV-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.07
Rot. Bonds4

About N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine

N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine (PubChem CID 43285101) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine
PubChem CID43285101
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-12-8-10-14(11-9-12)18-16-7-5-4-6-15(16)13(2)17-3/h4-11,13,17H,1-3H3
InChIKeyOOXDLOHZHJLEFV-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine (CID 43285101) is N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine is CNC(C)c1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine?
The InChIKey is OOXDLOHZHJLEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-8-10-14(11-9-12)18-16-7-5-4-6-15(16)13(2)17-3/h4-11,13,17H,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine?
N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43285101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).