4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol

C16H27NO3 — CID 64899515

IUPAC4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO3/c1-3-10-17-14(9-11-18)13-20-16-7-5-15(6-8-16)19-12-4-2/h5-8,14,17-18H,3-4,9-13H2,1-2H3
InChIKeyMRMOAZVDEISPRR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds11

About 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol

4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol (PubChem CID 64899515) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
PubChem CID64899515
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO3/c1-3-10-17-14(9-11-18)13-20-16-7-5-15(6-8-16)19-12-4-2/h5-8,14,17-18H,3-4,9-13H2,1-2H3
InChIKeyMRMOAZVDEISPRR-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
1-phenoxy-N-propyldecan-2-amine
CID 63416663
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol (CID 64899515) is 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COc1ccc(OCCC)cc1.
What is the InChIKey of 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol?
The InChIKey is MRMOAZVDEISPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-10-17-14(9-11-18)13-20-16-7-5-15(6-8-16)19-12-4-2/h5-8,14,17-18H,3-4,9-13H2,1-2H3.
What are the key properties of 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol?
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64899515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).