1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine

C17H29NO2 — CID 82987406

IUPAC1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-5-7-14(8-6-2)15(18)11-13-9-10-16(19-3)17(12-13)20-4/h9-10,12,14-15H,5-8,11,18H2,1-4H3
InChIKeyTZLYHSPESFDZBM-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine

1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine (PubChem CID 82987406) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
PubChem CID82987406
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-5-7-14(8-6-2)15(18)11-13-9-10-16(19-3)17(12-13)20-4/h9-10,12,14-15H,5-8,11,18H2,1-4H3
InChIKeyTZLYHSPESFDZBM-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
1-(3-bromo-4-methoxyphenyl)-3-ethoxybutan-2-amine
CID 64542009
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
tributyl-[(3,4-dimethoxyphenyl)methyl]phosphanium chloride
CID 71414193
1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
CID 83052232
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
CID 107892398
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine (CID 82987406) is 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine is CCCC(CCC)C(N)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine?
The InChIKey is TZLYHSPESFDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-14(8-6-2)15(18)11-13-9-10-16(19-3)17(12-13)20-4/h9-10,12,14-15H,5-8,11,18H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine?
1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine is sourced from PubChem (CID 82987406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).