4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline

C16H28N2O2 — CID 106675367

IUPAC4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-16(2,19-5)10-11-17-14-6-8-15(9-7-14)20-13-12-18(3)4/h6-9,17H,10-13H2,1-5H3
InChIKeyKEONFTVZEGGAKN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.85
Rot. Bonds9

About 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline

4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 106675367) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID106675367
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-16(2,19-5)10-11-17-14-6-8-15(9-7-14)20-13-12-18(3)4/h6-9,17H,10-13H2,1-5H3
InChIKeyKEONFTVZEGGAKN-UHFFFAOYSA-N
XLogP2.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 110452190
N-(3-methoxy-3-methylbutyl)-3-propoxyaniline
CID 102975708
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline (CID 106675367) is 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline is COC(C)(C)CCNc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is KEONFTVZEGGAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,19-5)10-11-17-14-6-8-15(9-7-14)20-13-12-18(3)4/h6-9,17H,10-13H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 280.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 106675367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).