N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline

C17H30N2O — CID 84749591

IUPACN-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCCN(C)c1ccc(CNCCC)cc1OCC
InChIInChI=1S/C17H30N2O/c1-5-8-12-19(4)16-10-9-15(14-18-11-6-2)13-17(16)20-7-3/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChIKeyWFFAIJDRIRPTDS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.82
Rot. Bonds10

About N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline

N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline (PubChem CID 84749591) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
PubChem CID84749591
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCCN(C)c1ccc(CNCCC)cc1OCC
InChIInChI=1S/C17H30N2O/c1-5-8-12-19(4)16-10-9-15(14-18-11-6-2)13-17(16)20-7-3/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChIKeyWFFAIJDRIRPTDS-UHFFFAOYSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
3-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]propanoic acid
CID 84749809
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline (CID 84749591) is N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline is CCCCN(C)c1ccc(CNCCC)cc1OCC.
What is the InChIKey of N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The InChIKey is WFFAIJDRIRPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-8-12-19(4)16-10-9-15(14-18-11-6-2)13-17(16)20-7-3/h9-10,13,18H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline has a molecular weight of 278.44 g/mol, XLogP of 3.82, 10 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-methyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 84749591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).