2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride

C16H20ClNO — CID 163408307

IUPAC2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
SMILESCc1cc(-c2ccccc2C)ccc1OCCN.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-5-3-4-6-15(12)14-7-8-16(13(2)11-14)18-10-9-17;/h3-8,11H,9-10,17H2,1-2H3;1H
InChIKeySGDDFLWDGYDTOU-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.73
Rot. Bonds4

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

2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride (PubChem CID 163408307) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
PubChem CID163408307
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
SMILESCc1cc(-c2ccccc2C)ccc1OCCN.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12-5-3-4-6-15(12)14-7-8-16(13(2)11-14)18-10-9-17;/h3-8,11H,9-10,17H2,1-2H3;1H
InChIKeySGDDFLWDGYDTOU-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
CID 163408322
2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine
CID 163408392
2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
CID 59894063
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
CID 15107819
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-(2-aminoethoxy)-6-methylaniline
CID 82502971

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride (CID 163408307) is 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride is Cc1cc(-c2ccccc2C)ccc1OCCN.Cl.
What is the InChIKey of 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is SGDDFLWDGYDTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12-5-3-4-6-15(12)14-7-8-16(13(2)11-14)18-10-9-17;/h3-8,11H,9-10,17H2,1-2H3;1H.
What are the key properties of 2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride?
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.73, 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-(2-methylphenyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 163408307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).