2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol

C15H25NO3 — CID 115133642

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(CCN(C)C(C)(C)CO)c1
InChIInChI=1S/C15H25NO3/c1-15(2,11-17)16(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyIOBOOVARDKRMHS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115133642) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
PubChem CID115133642
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(CCN(C)C(C)(C)CO)c1
InChIInChI=1S/C15H25NO3/c1-15(2,11-17)16(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyIOBOOVARDKRMHS-UHFFFAOYSA-N
XLogP1.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111044459

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol (CID 115133642) is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol is COc1ccc(OC)c(CCN(C)C(C)(C)CO)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is IOBOOVARDKRMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,11-17)16(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol?
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).