1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine

C16H27NO2 — CID 82985587

IUPAC1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-12(8-6-2)16(17)14-10-9-13(18-3)11-15(14)19-4/h9-12,16H,5-8,17H2,1-4H3
InChIKeyOXYNNMTYFHZASA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.92
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine

1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine (PubChem CID 82985587) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
PubChem CID82985587
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-12(8-6-2)16(17)14-10-9-13(18-3)11-15(14)19-4/h9-12,16H,5-8,17H2,1-4H3
InChIKeyOXYNNMTYFHZASA-UHFFFAOYSA-N
XLogP3.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
CID 104545774
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine (CID 82985587) is 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine?
The InChIKey is OXYNNMTYFHZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-12(8-6-2)16(17)14-10-9-13(18-3)11-15(14)19-4/h9-12,16H,5-8,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine?
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82985587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).