2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine

C17H21NO — CID 105350576

IUPAC2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(OCc2ccc(CCN)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-13-3-8-17(11-14(13)2)19-12-16-6-4-15(5-7-16)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyJPOUJZSNABFOJB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine

2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350576) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350576
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(OCc2ccc(CCN)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-13-3-8-17(11-14(13)2)19-12-16-6-4-15(5-7-16)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyJPOUJZSNABFOJB-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hexylphenyl)methoxy]-1,2-dimethylbenzene
CID 59265322
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
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[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
CID 105350803
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine (CID 105350576) is 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine is Cc1ccc(OCc2ccc(CCN)cc2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is JPOUJZSNABFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-3-8-17(11-14(13)2)19-12-16-6-4-15(5-7-16)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).