1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol

C12H19NO2 — CID 82395060

IUPAC1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
SMILESCOc1c(C)cccc1CCC(O)CN
InChIInChI=1S/C12H19NO2/c1-9-4-3-5-10(12(9)15-2)6-7-11(14)8-13/h3-5,11,14H,6-8,13H2,1-2H3
InChIKeyMZMNVHCYWPPLDM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds5

About 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol

1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol (PubChem CID 82395060) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
PubChem CID82395060
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
SMILESCOc1c(C)cccc1CCC(O)CN
InChIInChI=1S/C12H19NO2/c1-9-4-3-5-10(12(9)15-2)6-7-11(14)8-13/h3-5,11,14H,6-8,13H2,1-2H3
InChIKeyMZMNVHCYWPPLDM-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110
(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
CID 66777091
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol
CID 58870154
3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
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1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol (CID 82395060) is 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol is COc1c(C)cccc1CCC(O)CN.
What is the InChIKey of 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol?
The InChIKey is MZMNVHCYWPPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-4-3-5-10(12(9)15-2)6-7-11(14)8-13/h3-5,11,14H,6-8,13H2,1-2H3.
What are the key properties of 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol?
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 82395060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).