2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine

C16H19NO — CID 82038847

IUPAC2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1-c1ccccc1C
InChIInChI=1S/C16H19NO/c1-12-5-3-4-6-14(12)15-11-13(9-10-17)7-8-16(15)18-2/h3-8,11H,9-10,17H2,1-2H3
InChIKeyIVSPFVZJOKHPEQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.17
Rot. Bonds4

About 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine

2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine (PubChem CID 82038847) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
PubChem CID82038847
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1-c1ccccc1C
InChIInChI=1S/C16H19NO/c1-12-5-3-4-6-14(12)15-11-13(9-10-17)7-8-16(15)18-2/h3-8,11H,9-10,17H2,1-2H3
InChIKeyIVSPFVZJOKHPEQ-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.17
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-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
[3-(2-aminophenyl)-4-methoxyphenyl]methanol
CID 175863729

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine (CID 82038847) is 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine is COc1ccc(CCN)cc1-c1ccccc1C.
What is the InChIKey of 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine?
The InChIKey is IVSPFVZJOKHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-3-4-6-14(12)15-11-13(9-10-17)7-8-16(15)18-2/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine?
2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82038847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).