2-[4-(4-methylphenoxy)phenyl]ethanamine

C15H17NO — CID 20985599

IUPAC2-[4-(4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H17NO/c1-12-2-6-14(7-3-12)17-15-8-4-13(5-9-15)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyJVVGWXKCADJFBM-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-(4-methylphenoxy)phenyl]ethanamine

2-[4-(4-methylphenoxy)phenyl]ethanamine (PubChem CID 20985599) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenyl]ethanamine
PubChem CID20985599
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[4-(4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H17NO/c1-12-2-6-14(7-3-12)17-15-8-4-13(5-9-15)10-11-16/h2-9H,10-11,16H2,1H3
InChIKeyJVVGWXKCADJFBM-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
CID 11497243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-methylphenoxy)phenyl]ethanamine (CID 20985599) is 2-[4-(4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenyl]ethanamine?
The InChIKey is JVVGWXKCADJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-2-6-14(7-3-12)17-15-8-4-13(5-9-15)10-11-16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[4-(4-methylphenoxy)phenyl]ethanamine?
2-[4-(4-methylphenoxy)phenyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 20985599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).