3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol

C15H25NO2 — CID 103967406

IUPAC3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
SMILESCOCCC(N)CC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-10-7-11(2)15(12(3)8-10)14(17)9-13(16)5-6-18-4/h7-8,13-14,17H,5-6,9,16H2,1-4H3
InChIKeyKCZKVTBXKRZAOD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.40
Rot. Bonds6

About 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol

3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol (PubChem CID 103967406) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
PubChem CID103967406
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
SMILESCOCCC(N)CC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-10-7-11(2)15(12(3)8-10)14(17)9-13(16)5-6-18-4/h7-8,13-14,17H,5-6,9,16H2,1-4H3
InChIKeyKCZKVTBXKRZAOD-UHFFFAOYSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
CID 113359747
3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
3-amino-5-methoxy-1-(4-methyl-3-nitrophenyl)pentan-1-ol
CID 103967393
3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol
CID 113359746
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116567372
3-amino-5-methoxy-1-(4-propylphenyl)pentan-1-ol
CID 103967383
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720
3-amino-1-(2,4-dimethylphenyl)-5-methoxypentan-1-one
CID 103967332
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The IUPAC name of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol (CID 103967406) is 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol.
What is the SMILES notation for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The canonical SMILES for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol is COCCC(N)CC(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The InChIKey is KCZKVTBXKRZAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-7-11(2)15(12(3)8-10)14(17)9-13(16)5-6-18-4/h7-8,13-14,17H,5-6,9,16H2,1-4H3.
What are the key properties of 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol?
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol is sourced from PubChem (CID 103967406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).