2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine

C16H19NO — CID 163408322

IUPAC2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
SMILESCc1cccc(-c2ccc(OCCN)c(C)c2)c1
InChIInChI=1S/C16H19NO/c1-12-4-3-5-14(10-12)15-6-7-16(13(2)11-15)18-9-8-17/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyZYFJKZNJPIUSFC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine

2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine (PubChem CID 163408322) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
PubChem CID163408322
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
SMILESCc1cccc(-c2ccc(OCCN)c(C)c2)c1
InChIInChI=1S/C16H19NO/c1-12-4-3-5-14(10-12)15-6-7-16(13(2)11-15)18-9-8-17/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyZYFJKZNJPIUSFC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
CID 59894063
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
CID 15107819
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
2-(2-aminoethoxy)-6-methylaniline
CID 82502971

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine?
The IUPAC name of 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine (CID 163408322) is 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine?
The canonical SMILES for 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine is Cc1cccc(-c2ccc(OCCN)c(C)c2)c1.
What is the InChIKey of 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine?
The InChIKey is ZYFJKZNJPIUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-3-5-14(10-12)15-6-7-16(13(2)11-15)18-9-8-17/h3-7,10-11H,8-9,17H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine?
2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine is sourced from PubChem (CID 163408322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).