4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine

C18H31NO2 — CID 106792507

IUPAC4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(C)cc1OC
InChIInChI=1S/C18H31NO2/c1-7-12-19-16(10-11-18(3,4)21-6)15-9-8-14(2)13-17(15)20-5/h8-9,13,16,19H,7,10-12H2,1-6H3
InChIKeyFEQYRGWWIDPLCI-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.25
Rot. Bonds9

About 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine

4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 106792507) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID106792507
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(C)cc1OC
InChIInChI=1S/C18H31NO2/c1-7-12-19-16(10-11-18(3,4)21-6)15-9-8-14(2)13-17(15)20-5/h8-9,13,16,19H,7,10-12H2,1-6H3
InChIKeyFEQYRGWWIDPLCI-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
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
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine (CID 106792507) is 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccc(C)cc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is FEQYRGWWIDPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-12-19-16(10-11-18(3,4)21-6)15-9-8-14(2)13-17(15)20-5/h8-9,13,16,19H,7,10-12H2,1-6H3.
What are the key properties of 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 106792507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).