3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline

C13H22N2O — CID 114524612

IUPAC3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCCCN(C)C
InChIInChI=1S/C13H22N2O/c1-10-6-7-12(14)11(2)13(10)16-9-5-8-15(3)4/h6-7H,5,8-9,14H2,1-4H3
InChIKeyPINHBYOMMMIWRZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.22
Rot. Bonds5

About 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline

3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline (PubChem CID 114524612) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
PubChem CID114524612
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCCCN(C)C
InChIInChI=1S/C13H22N2O/c1-10-6-7-12(14)11(2)13(10)16-9-5-8-15(3)4/h6-7H,5,8-9,14H2,1-4H3
InChIKeyPINHBYOMMMIWRZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
3-(2,2-difluoroethoxy)-2,4-dimethylaniline
CID 62018691
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 60686608
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 146405993
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline (CID 114524612) is 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline is Cc1ccc(N)c(C)c1OCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline?
The InChIKey is PINHBYOMMMIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-7-12(14)11(2)13(10)16-9-5-8-15(3)4/h6-7H,5,8-9,14H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline?
3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline is sourced from PubChem (CID 114524612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).