2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine

C17H21NO — CID 82120363

IUPAC2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1-c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)16-11-14(6-7-18)4-5-17(16)19-3/h4-5,8-11H,6-7,18H2,1-3H3
InChIKeyKGKCNNGKEZCSBJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.48
Rot. Bonds4

About 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine

2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine (PubChem CID 82120363) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
PubChem CID82120363
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1-c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)16-11-14(6-7-18)4-5-17(16)19-3/h4-5,8-11H,6-7,18H2,1-3H3
InChIKeyKGKCNNGKEZCSBJ-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
CID 82038847
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine (CID 82120363) is 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine is COc1ccc(CCN)cc1-c1cc(C)cc(C)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine?
The InChIKey is KGKCNNGKEZCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)16-11-14(6-7-18)4-5-17(16)19-3/h4-5,8-11H,6-7,18H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine?
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82120363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).