2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol

C13H21NO3 — CID 117351358

IUPAC2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)c(OC)cc1C(C)CO
InChIInChI=1S/C13H21NO3/c1-9(8-15)10-6-13(17-5)11(14(2)3)7-12(10)16-4/h6-7,9,15H,8H2,1-5H3
InChIKeyCHPZNCRJIGYMIT-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol

2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol (PubChem CID 117351358) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
PubChem CID117351358
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)c(OC)cc1C(C)CO
InChIInChI=1S/C13H21NO3/c1-9(8-15)10-6-13(17-5)11(14(2)3)7-12(10)16-4/h6-7,9,15H,8H2,1-5H3
InChIKeyCHPZNCRJIGYMIT-UHFFFAOYSA-N
XLogP1.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
CID 117349624
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117353545
[2-fluoro-4-[(2R)-1-hydroxypropan-2-yl]-5-methoxyphenyl]boronic acid
CID 123951308
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353827
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol?
The IUPAC name of 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol (CID 117351358) is 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol?
The canonical SMILES for 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol is COc1cc(N(C)C)c(OC)cc1C(C)CO.
What is the InChIKey of 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol?
The InChIKey is CHPZNCRJIGYMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(8-15)10-6-13(17-5)11(14(2)3)7-12(10)16-4/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol?
2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol is sourced from PubChem (CID 117351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).