4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride

C15H26ClNO3 — CID 45259533

IUPAC4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCCCN(CCC)Cc1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C15H25NO3.ClH/c1-5-7-16(8-6-2)11-12-9-13(18-3)15(17)14(10-12)19-4;/h9-10,17H,5-8,11H2,1-4H3;1H
InChIKeyLTKXBEYQMGLVDH-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.45
Rot. Bonds8

About 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride

4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 45259533) has the molecular formula C15H26ClNO3 and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID45259533
Molecular FormulaC15H26ClNO3
Molecular Weight303.83 g/mol
Exact Mass303.16
IUPAC Name4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCCCN(CCC)Cc1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C15H25NO3.ClH/c1-5-7-16(8-6-2)11-12-9-13(18-3)15(17)14(10-12)19-4;/h9-10,17H,5-8,11H2,1-4H3;1H
InChIKeyLTKXBEYQMGLVDH-UHFFFAOYSA-N
XLogP3.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596
2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2,6-dimethoxy-4-pentylphenol
CID 22625510
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
4-[[2-(dimethylamino)ethyl-propylamino]methyl]-2-methoxybenzenecarbothioamide
CID 106788847

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride (CID 45259533) is 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride is CCCN(CCC)Cc1cc(OC)c(O)c(OC)c1.Cl.
What is the InChIKey of 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is LTKXBEYQMGLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.ClH/c1-5-7-16(8-6-2)11-12-9-13(18-3)15(17)14(10-12)19-4;/h9-10,17H,5-8,11H2,1-4H3;1H.
What are the key properties of 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 45259533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).