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

C19H25NO — CID 63421326

IUPAC2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCCc1ccc(COc2c(C)cc(CCN)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-5-7-17(8-6-16)13-21-19-14(2)11-18(9-10-20)12-15(19)3/h5-8,11-12H,4,9-10,13,20H2,1-3H3
InChIKeyGQLOHZMLWYEPHH-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.95
Rot. Bonds6

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

2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine (PubChem CID 63421326) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
PubChem CID63421326
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCCc1ccc(COc2c(C)cc(CCN)cc2C)cc1
InChIInChI=1S/C19H25NO/c1-4-16-5-7-17(8-6-16)13-21-19-14(2)11-18(9-10-20)12-15(19)3/h5-8,11-12H,4,9-10,13,20H2,1-3H3
InChIKeyGQLOHZMLWYEPHH-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine (CID 63421326) is 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine is CCc1ccc(COc2c(C)cc(CCN)cc2C)cc1.
What is the InChIKey of 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The InChIKey is GQLOHZMLWYEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16-5-7-17(8-6-16)13-21-19-14(2)11-18(9-10-20)12-15(19)3/h5-8,11-12H,4,9-10,13,20H2,1-3H3.
What are the key properties of 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 63421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).