1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol

C15H25NO3 — CID 60635112

IUPAC1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C15H25NO3/c1-4-12(5-2)16-10-13(17)11-19-15-8-6-14(18-3)7-9-15/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyVNEYWLWJZFXOLO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds9

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

1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol (PubChem CID 60635112) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
PubChem CID60635112
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C15H25NO3/c1-4-12(5-2)16-10-13(17)11-19-15-8-6-14(18-3)7-9-15/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyVNEYWLWJZFXOLO-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]butan-1-ol
CID 25186198
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol (CID 60635112) is 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol is CCC(CC)NCC(O)COc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The InChIKey is VNEYWLWJZFXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-12(5-2)16-10-13(17)11-19-15-8-6-14(18-3)7-9-15/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol?
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 60635112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).