3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline

C18H24N2O — CID 61229652

IUPAC3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline
SMILESCc1ccc(C(N)COc2cccc(N(C)C)c2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-17(14(2)10-13)18(19)12-21-16-7-5-6-15(11-16)20(3)4/h5-11,18H,12,19H2,1-4H3
InChIKeyFSGCPDSWEXYZHO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.45
Rot. Bonds5

About 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline

3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline (PubChem CID 61229652) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline
PubChem CID61229652
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline
SMILESCc1ccc(C(N)COc2cccc(N(C)C)c2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-17(14(2)10-13)18(19)12-21-16-7-5-6-15(11-16)20(3)4/h5-11,18H,12,19H2,1-4H3
InChIKeyFSGCPDSWEXYZHO-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
CID 63986563
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline (CID 61229652) is 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline is Cc1ccc(C(N)COc2cccc(N(C)C)c2)c(C)c1.
What is the InChIKey of 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline?
The InChIKey is FSGCPDSWEXYZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-9-17(14(2)10-13)18(19)12-21-16-7-5-6-15(11-16)20(3)4/h5-11,18H,12,19H2,1-4H3.
What are the key properties of 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline?
3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2,4-dimethylphenyl)ethoxy]-N,N-dimethylaniline is sourced from PubChem (CID 61229652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).