2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol

C15H25NO3 — CID 115137582

IUPAC2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(OC)c(CN(C)C(CO)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)14(10-17)16(3)9-12-8-13(18-4)6-7-15(12)19-5/h6-8,11,14,17H,9-10H2,1-5H3
InChIKeyXABUDDJQZICJCW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.15
Rot. Bonds7

About 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol

2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137582) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137582
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(OC)c(CN(C)C(CO)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)14(10-17)16(3)9-12-8-13(18-4)6-7-15(12)19-5/h6-8,11,14,17H,9-10H2,1-5H3
InChIKeyXABUDDJQZICJCW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107838
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137616
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115137582) is 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol is COc1ccc(OC)c(CN(C)C(CO)C(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is XABUDDJQZICJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)14(10-17)16(3)9-12-8-13(18-4)6-7-15(12)19-5/h6-8,11,14,17H,9-10H2,1-5H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).