4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol

C15H25NO3 — CID 64802248

IUPAC4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCOc1cccc(OCCC(C)(CO)NC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-12(2)16-15(3,11-17)8-9-19-14-7-5-6-13(10-14)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyPARIFSJPQZNKAJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds8

About 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64802248) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64802248
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCOc1cccc(OCCC(C)(CO)NC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-12(2)16-15(3,11-17)8-9-19-14-7-5-6-13(10-14)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyPARIFSJPQZNKAJ-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
CID 64809345
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
(3-methoxyphenoxy)methanol
CID 10442564
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64802248) is 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol is COc1cccc(OCCC(C)(CO)NC(C)C)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is PARIFSJPQZNKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-15(3,11-17)8-9-19-14-7-5-6-13(10-14)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64802248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).