2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine

C18H23NO — CID 105350788

IUPAC2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(C)c(OCc2ccc(CCN)cc2)c1C
InChIInChI=1S/C18H23NO/c1-13-4-5-14(2)18(15(13)3)20-12-17-8-6-16(7-9-17)10-11-19/h4-9H,10-12,19H2,1-3H3
InChIKeySPXXYAASPRMTEP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine

2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350788) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350788
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(C)c(OCc2ccc(CCN)cc2)c1C
InChIInChI=1S/C18H23NO/c1-13-4-5-14(2)18(15(13)3)20-12-17-8-6-16(7-9-17)10-11-19/h4-9H,10-12,19H2,1-3H3
InChIKeySPXXYAASPRMTEP-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
CID 62018326
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine
CID 62464982
4-chloro-2-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 79582428
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
2-(fluoromethoxy)-1,3,4-trimethylbenzene
CID 89340105

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine (CID 105350788) is 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine is Cc1ccc(C)c(OCc2ccc(CCN)cc2)c1C.
What is the InChIKey of 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is SPXXYAASPRMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-4-5-14(2)18(15(13)3)20-12-17-8-6-16(7-9-17)10-11-19/h4-9H,10-12,19H2,1-3H3.
What are the key properties of 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).