2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine

C18H23NO — CID 43100320

IUPAC2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)COc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-15-8-10-16(11-9-15)17(19)12-20-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyMVTZQIDZHOATKJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine

2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine (PubChem CID 43100320) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
PubChem CID43100320
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)COc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-15-8-10-16(11-9-15)17(19)12-20-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyMVTZQIDZHOATKJ-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
1-(4-ethylphenyl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 63467021

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine (CID 43100320) is 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)COc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine?
The InChIKey is MVTZQIDZHOATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-8-10-16(11-9-15)17(19)12-20-18-13(2)6-5-7-14(18)3/h5-11,17H,4,12,19H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine?
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 43100320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).