3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol

C12H19NO2 — CID 81462431

IUPAC3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
SMILESCOc1ccc(C)cc1C(O)CC(C)N
InChIInChI=1S/C12H19NO2/c1-8-4-5-12(15-3)10(6-8)11(14)7-9(2)13/h4-6,9,11,14H,7,13H2,1-3H3
InChIKeySMHDVJRSHRDANI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol

3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol (PubChem CID 81462431) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
PubChem CID81462431
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
SMILESCOc1ccc(C)cc1C(O)CC(C)N
InChIInChI=1S/C12H19NO2/c1-8-4-5-12(15-3)10(6-8)11(14)7-9(2)13/h4-6,9,11,14H,7,13H2,1-3H3
InChIKeySMHDVJRSHRDANI-UHFFFAOYSA-N
XLogP1.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-methoxy-5-methylphenyl)pentan-1-ol
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1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
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4-(2-methoxy-4-methylphenoxy)pentan-2-amine
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2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
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ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The IUPAC name of 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol (CID 81462431) is 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol.
What is the SMILES notation for 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The canonical SMILES for 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol is COc1ccc(C)cc1C(O)CC(C)N.
What is the InChIKey of 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The InChIKey is SMHDVJRSHRDANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-4-5-12(15-3)10(6-8)11(14)7-9(2)13/h4-6,9,11,14H,7,13H2,1-3H3.
What are the key properties of 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol?
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol is sourced from PubChem (CID 81462431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).