N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline

C16H28N2O — CID 84754802

IUPACN-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
SMILESCCCCN(CC)c1ccc(CNC)cc1OCC
InChIInChI=1S/C16H28N2O/c1-5-8-11-18(6-2)15-10-9-14(13-17-4)12-16(15)19-7-3/h9-10,12,17H,5-8,11,13H2,1-4H3
InChIKeyJVJHLDFKRBPCKW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.43
Rot. Bonds9

About N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline

N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline (PubChem CID 84754802) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
PubChem CID84754802
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
SMILESCCCCN(CC)c1ccc(CNC)cc1OCC
InChIInChI=1S/C16H28N2O/c1-5-8-11-18(6-2)15-10-9-14(13-17-4)12-16(15)19-7-3/h9-10,12,17H,5-8,11,13H2,1-4H3
InChIKeyJVJHLDFKRBPCKW-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline
CID 84748737
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
CID 84754296
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
3-[N-ethyl-2-methoxy-4-(methylaminomethyl)anilino]propanoic acid
CID 84754729
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
3-[[4-[butyl(ethyl)amino]-3-methoxyphenyl]methylamino]propanoic acid
CID 84754298
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline (CID 84754802) is N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline is CCCCN(CC)c1ccc(CNC)cc1OCC.
What is the InChIKey of N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline?
The InChIKey is JVJHLDFKRBPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-8-11-18(6-2)15-10-9-14(13-17-4)12-16(15)19-7-3/h9-10,12,17H,5-8,11,13H2,1-4H3.
What are the key properties of N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline?
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline has a molecular weight of 264.41 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 84754802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).