1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol

C16H27NO3 — CID 66179073

IUPAC1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc(CNCC(C)(O)CC(C)C)c1OC
InChIInChI=1S/C16H27NO3/c1-12(2)9-16(3,18)11-17-10-13-7-6-8-14(19-4)15(13)20-5/h6-8,12,17-18H,9-11H2,1-5H3
InChIKeyYESZJWPEVGCANI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds8

About 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol

1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66179073) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66179073
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc(CNCC(C)(O)CC(C)C)c1OC
InChIInChI=1S/C16H27NO3/c1-12(2)9-16(3,18)11-17-10-13-7-6-8-14(19-4)15(13)20-5/h6-8,12,17-18H,9-11H2,1-5H3
InChIKeyYESZJWPEVGCANI-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118479
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 106539007
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol (CID 66179073) is 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol is COc1cccc(CNCC(C)(O)CC(C)C)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is YESZJWPEVGCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)9-16(3,18)11-17-10-13-7-6-8-14(19-4)15(13)20-5/h6-8,12,17-18H,9-11H2,1-5H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).