1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine

C18H23NO — CID 43364252

IUPAC1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine
SMILESCCc1ccccc1OCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-15-7-5-6-8-18(15)20-12-17(19)16-10-9-13(2)14(3)11-16/h5-11,17H,4,12,19H2,1-3H3
InChIKeySDGJVINZAUJXDA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine

1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine (PubChem CID 43364252) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine
PubChem CID43364252
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine
SMILESCCc1ccccc1OCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-4-15-7-5-6-8-18(15)20-12-17(19)16-10-9-13(2)14(3)11-16/h5-11,17H,4,12,19H2,1-3H3
InChIKeySDGJVINZAUJXDA-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

2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
CID 43364260
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
2-(2-ethylphenoxy)-1-(2-methylphenyl)ethanamine
CID 43364243
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-(1,3-benzodioxol-5-yl)-2-(2-methylphenoxy)ethanamine
CID 16789877
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine (CID 43364252) is 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine is CCc1ccccc1OCC(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine?
The InChIKey is SDGJVINZAUJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-7-5-6-8-18(15)20-12-17(19)16-10-9-13(2)14(3)11-16/h5-11,17H,4,12,19H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine?
1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)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 1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine is sourced from PubChem (CID 43364252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).