N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine

C18H23N — CID 64985124

IUPACN-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1-c1cc(C)c(C)cc1C
InChIInChI=1S/C18H23N/c1-12-10-14(3)18(11-13(12)2)17-9-7-6-8-16(17)15(4)19-5/h6-11,15,19H,1-5H3
InChIKeyNXNOZGYXBLKGIZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.56
Rot. Bonds3

About N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine

N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine (PubChem CID 64985124) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine
PubChem CID64985124
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1-c1cc(C)c(C)cc1C
InChIInChI=1S/C18H23N/c1-12-10-14(3)18(11-13(12)2)17-9-7-6-8-16(17)15(4)19-5/h6-11,15,19H,1-5H3
InChIKeyNXNOZGYXBLKGIZ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine (CID 64985124) is N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine is CNC(C)c1ccccc1-c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine?
The InChIKey is NXNOZGYXBLKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-10-14(3)18(11-13(12)2)17-9-7-6-8-16(17)15(4)19-5/h6-11,15,19H,1-5H3.
What are the key properties of N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine?
N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 64985124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).