3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol

C15H25NO3 — CID 115722852

IUPAC3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
SMILESCOc1ccc(C(C)NC(C)C(C)CO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-7-6-13(18-4)8-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3
InChIKeyNFXNGSMIFHBRCR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds7

About 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol

3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol (PubChem CID 115722852) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
PubChem CID115722852
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
SMILESCOc1ccc(C(C)NC(C)C(C)CO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-7-6-13(18-4)8-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3
InChIKeyNFXNGSMIFHBRCR-UHFFFAOYSA-N
XLogP2.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165274
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol (CID 115722852) is 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol is COc1ccc(C(C)NC(C)C(C)CO)c(OC)c1.
What is the InChIKey of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is NFXNGSMIFHBRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-7-6-13(18-4)8-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3.
What are the key properties of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol?
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115722852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).