(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine

C17H21N — CID 105018566

IUPAC(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H21N/c1-4-14-6-5-7-15(11-14)17(18)16-10-12(2)8-9-13(16)3/h5-11,17H,4,18H2,1-3H3
InChIKeySAMDUFPHWUHWMZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.91
Rot. Bonds3

About (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine

(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine (PubChem CID 105018566) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
PubChem CID105018566
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H21N/c1-4-14-6-5-7-15(11-14)17(18)16-10-12(2)8-9-13(16)3/h5-11,17H,4,18H2,1-3H3
InChIKeySAMDUFPHWUHWMZ-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(3-ethylphenyl)-(2-methylquinolin-4-yl)methanamine
CID 105171179
1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64633802
1-ethyl-3-methylbenzene;methanamine
CID 167447790
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine (CID 105018566) is (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2cc(C)ccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine?
The InChIKey is SAMDUFPHWUHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-14-6-5-7-15(11-14)17(18)16-10-12(2)8-9-13(16)3/h5-11,17H,4,18H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine?
(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).