2-[3-(2,4-dimethylphenyl)phenyl]ethanamine

C16H19N — CID 82115094

IUPAC2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
SMILESCc1ccc(-c2cccc(CCN)c2)c(C)c1
InChIInChI=1S/C16H19N/c1-12-6-7-16(13(2)10-12)15-5-3-4-14(11-15)8-9-17/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyWDETVJPZAVYNCZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.47
Rot. Bonds3

About 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine

2-[3-(2,4-dimethylphenyl)phenyl]ethanamine (PubChem CID 82115094) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
PubChem CID82115094
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
SMILESCc1ccc(-c2cccc(CCN)c2)c(C)c1
InChIInChI=1S/C16H19N/c1-12-6-7-16(13(2)10-12)15-5-3-4-14(11-15)8-9-17/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyWDETVJPZAVYNCZ-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-fluoro-4-methylphenyl)phenyl]ethanamine
CID 110282368
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
4-[3-(2-aminoethyl)phenyl]-5-methyl-2-propan-2-ylphenol
CID 82039594
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 39222030
3-(2,4-dimethylphenyl)phenol
CID 53218508
2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine
CID 118674112
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
1-methyl-2-(3-propylphenyl)benzene
CID 143365994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine?
The IUPAC name of 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine (CID 82115094) is 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine is Cc1ccc(-c2cccc(CCN)c2)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine?
The InChIKey is WDETVJPZAVYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-6-7-16(13(2)10-12)15-5-3-4-14(11-15)8-9-17/h3-7,10-11H,8-9,17H2,1-2H3.
What are the key properties of 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine?
2-[3-(2,4-dimethylphenyl)phenyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).