N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine

C16H19N — CID 21301167

IUPACN,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19N/c1-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17(2)3/h4-11H,12H2,1-3H3
InChIKeyQGOOAEPVHQYWJX-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.72
Rot. Bonds3

About N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine

N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine (PubChem CID 21301167) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
PubChem CID21301167
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19N/c1-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17(2)3/h4-11H,12H2,1-3H3
InChIKeyQGOOAEPVHQYWJX-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine (CID 21301167) is N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine is Cc1ccc(-c2ccccc2CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine?
The InChIKey is QGOOAEPVHQYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17(2)3/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine?
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 21301167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).