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

C17H21N — CID 64985369

IUPACN-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C17H21N/c1-12-9-14(3)17(10-13(12)2)16-7-5-15(6-8-16)11-18-4/h5-10,18H,11H2,1-4H3
InChIKeyCXTGDIXQZYJGTA-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.00
Rot. Bonds3

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

N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine (PubChem CID 64985369) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
PubChem CID64985369
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C17H21N/c1-12-9-14(3)17(10-13(12)2)16-7-5-15(6-8-16)11-18-4/h5-10,18H,11H2,1-4H3
InChIKeyCXTGDIXQZYJGTA-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine (CID 64985369) is N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine is CNCc1ccc(-c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The InChIKey is CXTGDIXQZYJGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-9-14(3)17(10-13(12)2)16-7-5-15(6-8-16)11-18-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine?
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine is sourced from PubChem (CID 64985369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).