4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol

C13H21NO2 — CID 83933089

IUPAC4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
SMILESCOc1ccc(C)cc1CCC(O)C(C)N
InChIInChI=1S/C13H21NO2/c1-9-4-7-13(16-3)11(8-9)5-6-12(15)10(2)14/h4,7-8,10,12,15H,5-6,14H2,1-3H3
InChIKeyVEMKWSUJCQSFRF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds5

About 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol

4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol (PubChem CID 83933089) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
PubChem CID83933089
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
SMILESCOc1ccc(C)cc1CCC(O)C(C)N
InChIInChI=1S/C13H21NO2/c1-9-4-7-13(16-3)11(8-9)5-6-12(15)10(2)14/h4,7-8,10,12,15H,5-6,14H2,1-3H3
InChIKeyVEMKWSUJCQSFRF-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]butan-1-amine
CID 66228621
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol (CID 83933089) is 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol is COc1ccc(C)cc1CCC(O)C(C)N.
What is the InChIKey of 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol?
The InChIKey is VEMKWSUJCQSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-4-7-13(16-3)11(8-9)5-6-12(15)10(2)14/h4,7-8,10,12,15H,5-6,14H2,1-3H3.
What are the key properties of 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol?
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol is sourced from PubChem (CID 83933089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).