2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine

C18H23NO2 — CID 43110699

IUPAC2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO2/c1-4-20-16-8-6-15(7-9-16)17(19)12-21-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyJDIIMFYNNFUXSU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine

2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine (PubChem CID 43110699) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
PubChem CID43110699
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO2/c1-4-20-16-8-6-15(7-9-16)17(19)12-21-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3
InChIKeyJDIIMFYNNFUXSU-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine (CID 43110699) is 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)COc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is JDIIMFYNNFUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-20-16-8-6-15(7-9-16)17(19)12-21-18-10-5-13(2)11-14(18)3/h5-11,17H,4,12,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine?
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 43110699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).