4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline

C18H32N2O — CID 103031134

IUPAC4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
SMILESCCCNC(CCC(C)(C)OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-14-19-17(12-13-18(2,3)21-6)15-8-10-16(11-9-15)20(4)5/h8-11,17,19H,7,12-14H2,1-6H3
InChIKeyUVVCTXWHMNZSFX-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.00
Rot. Bonds9

About 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline

4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline (PubChem CID 103031134) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
PubChem CID103031134
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
SMILESCCCNC(CCC(C)(C)OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-14-19-17(12-13-18(2,3)21-6)15-8-10-16(11-9-15)20(4)5/h8-11,17,19H,7,12-14H2,1-6H3
InChIKeyUVVCTXWHMNZSFX-UHFFFAOYSA-N
XLogP4.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.00
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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline (CID 103031134) is 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline is CCCNC(CCC(C)(C)OC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline?
The InChIKey is UVVCTXWHMNZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-14-19-17(12-13-18(2,3)21-6)15-8-10-16(11-9-15)20(4)5/h8-11,17,19H,7,12-14H2,1-6H3.
What are the key properties of 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline?
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline has a molecular weight of 292.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline is sourced from PubChem (CID 103031134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).