3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine

C15H25NO2 — CID 66438971

IUPAC3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-9-16-12(3)11(2)14-8-7-13(17-4)10-15(14)18-5/h7-8,10-12,16H,6,9H2,1-5H3
InChIKeyFIROSAHDHNKDIA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.20
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine

3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine (PubChem CID 66438971) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
PubChem CID66438971
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-9-16-12(3)11(2)14-8-7-13(17-4)10-15(14)18-5/h7-8,10-12,16H,6,9H2,1-5H3
InChIKeyFIROSAHDHNKDIA-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine (CID 66438971) is 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is FIROSAHDHNKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-9-16-12(3)11(2)14-8-7-13(17-4)10-15(14)18-5/h7-8,10-12,16H,6,9H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine?
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 66438971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).