2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol

C13H21NO3 — CID 64802307

IUPAC2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
SMILESCOc1ccc(OC(C)CC(C)(N)CO)cc1
InChIInChI=1S/C13H21NO3/c1-10(8-13(2,14)9-15)17-12-6-4-11(16-3)5-7-12/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyLLCKUTQYEDYIDJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol

2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol (PubChem CID 64802307) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
PubChem CID64802307
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
SMILESCOc1ccc(OC(C)CC(C)(N)CO)cc1
InChIInChI=1S/C13H21NO3/c1-10(8-13(2,14)9-15)17-12-6-4-11(16-3)5-7-12/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyLLCKUTQYEDYIDJ-UHFFFAOYSA-N
XLogP1.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
2-amino-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-ol
CID 64810416
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol (CID 64802307) is 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol is COc1ccc(OC(C)CC(C)(N)CO)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol?
The InChIKey is LLCKUTQYEDYIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(8-13(2,14)9-15)17-12-6-4-11(16-3)5-7-12/h4-7,10,15H,8-9,14H2,1-3H3.
What are the key properties of 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol?
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol is sourced from PubChem (CID 64802307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).