2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine

C19H25NO — CID 63474881

IUPAC2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1ccc(C)c(C)c1)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-12,19-20H,5,13H2,1-4H3
InChIKeyNYUDWCBMMSHHOA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.34
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 63474881) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID63474881
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1ccc(C)c(C)c1)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-12,19-20H,5,13H2,1-4H3
InChIKeyNYUDWCBMMSHHOA-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63268910
N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64855007
2-(3-ethoxyphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62335577
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
[1-(2-methylphenyl)-2-phenoxyethyl]hydrazine
CID 105212883
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 63474881) is 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(COc1ccc(C)c(C)c1)c1ccccc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is NYUDWCBMMSHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-12,19-20H,5,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63474881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).