1-amino-2-methyl-4-phenoxypentan-2-ol

C12H19NO2 — CID 64814843

IUPAC1-amino-2-methyl-4-phenoxypentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(8-12(2,14)9-13)15-11-6-4-3-5-7-11/h3-7,10,14H,8-9,13H2,1-2H3
InChIKeyJETVJPYBFPAPLJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds5

About 1-amino-2-methyl-4-phenoxypentan-2-ol

1-amino-2-methyl-4-phenoxypentan-2-ol (PubChem CID 64814843) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-2-methyl-4-phenoxypentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-phenoxypentan-2-ol
PubChem CID64814843
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-2-methyl-4-phenoxypentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(8-12(2,14)9-13)15-11-6-4-3-5-7-11/h3-7,10,14H,8-9,13H2,1-2H3
InChIKeyJETVJPYBFPAPLJ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
CID 64815245
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
CID 64812344
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-phenoxypentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-phenoxypentan-2-ol (CID 64814843) is 1-amino-2-methyl-4-phenoxypentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-phenoxypentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-phenoxypentan-2-ol is CC(CC(C)(O)CN)Oc1ccccc1.
What is the InChIKey of 1-amino-2-methyl-4-phenoxypentan-2-ol?
The InChIKey is JETVJPYBFPAPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(8-12(2,14)9-13)15-11-6-4-3-5-7-11/h3-7,10,14H,8-9,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-phenoxypentan-2-ol?
1-amino-2-methyl-4-phenoxypentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-phenoxypentan-2-ol is sourced from PubChem (CID 64814843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).