N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine

C17H21N — CID 10610052

IUPACN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCc1ccc(C)c(CN(C)Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-9-10-15(2)17(11-14)13-18(3)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
InChIKeyBJVHYUMKSVIVEE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.94
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine

N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 10610052) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID10610052
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCc1ccc(C)c(CN(C)Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-9-10-15(2)17(11-14)13-18(3)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
InChIKeyBJVHYUMKSVIVEE-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
N-benzyl-2-bromo-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 80679693
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
N-benzyl-N,2,5-trimethylaniline
CID 15439716
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
4-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]benzoic acid
CID 65056262
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine (CID 10610052) is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine is Cc1ccc(C)c(CN(C)Cc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is BJVHYUMKSVIVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-9-10-15(2)17(11-14)13-18(3)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine?
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 10610052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).