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

C16H19NO — CID 16775885

IUPAC2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccc(CCN)cc1
InChIInChI=1S/C16H19NO/c1-13-4-2-3-5-15(13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10-12,17H2,1H3
InChIKeyJGYREKDPDWQPEA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.08
Rot. Bonds5

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

2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 16775885) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID16775885
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccc(CCN)cc1
InChIInChI=1S/C16H19NO/c1-13-4-2-3-5-15(13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10-12,17H2,1H3
InChIKeyJGYREKDPDWQPEA-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine (CID 16775885) is 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine is Cc1ccccc1COc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is JGYREKDPDWQPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-4-2-3-5-15(13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10-12,17H2,1H3.
What are the key properties of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 16775885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).