1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol

C14H23NO3 — CID 559347

IUPAC1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-11(2)8-15-9-12(16)10-18-14-6-4-13(17-3)5-7-14/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyUUUPRVQJLZUBOV-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.68
Rot. Bonds8

About 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 559347) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID559347
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-11(2)8-15-9-12(16)10-18-14-6-4-13(17-3)5-7-14/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyUUUPRVQJLZUBOV-UHFFFAOYSA-N
XLogP1.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107664435
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 559347) is 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol is COc1ccc(OCC(O)CNCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is UUUPRVQJLZUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)8-15-9-12(16)10-18-14-6-4-13(17-3)5-7-14/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 559347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).