4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol

C14H23NO3 — CID 64899284

IUPAC4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-3-9-15-12(8-10-16)11-18-14-7-5-4-6-13(14)17-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyBSXYGQQNVOVYEI-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.82
Rot. Bonds9

About 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol

4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol (PubChem CID 64899284) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
PubChem CID64899284
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-3-9-15-12(8-10-16)11-18-14-7-5-4-6-13(14)17-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyBSXYGQQNVOVYEI-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
CID 64900145
3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol (CID 64899284) is 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol?
The InChIKey is BSXYGQQNVOVYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-9-15-12(8-10-16)11-18-14-7-5-4-6-13(14)17-2/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol?
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64899284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).