2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine

C18H23NO — CID 82045161

IUPAC2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)Oc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H23NO/c1-12-8-9-16(10-15(12)4)17(11-19)20-18-13(2)6-5-7-14(18)3/h5-10,17H,11,19H2,1-4H3
InChIKeyCSEUZTMHXAKYEI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.00
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine

2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 82045161) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID82045161
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)Oc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H23NO/c1-12-8-9-16(10-15(12)4)17(11-19)20-18-13(2)6-5-7-14(18)3/h5-10,17H,11,19H2,1-4H3
InChIKeyCSEUZTMHXAKYEI-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine (CID 82045161) is 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(CN)Oc2c(C)cccc2C)cc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is CSEUZTMHXAKYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-8-9-16(10-15(12)4)17(11-19)20-18-13(2)6-5-7-14(18)3/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine?
2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 82045161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).