4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol

C16H27NO3 — CID 82000949

IUPAC4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
SMILESCCCNC(C)c1ccc(OC)cc1OCCCCO
InChIInChI=1S/C16H27NO3/c1-4-9-17-13(2)15-8-7-14(19-3)12-16(15)20-11-6-5-10-18/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3
InChIKeyDLONULFQMKGZCU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds10

About 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol

4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol (PubChem CID 82000949) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
PubChem CID82000949
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
SMILESCCCNC(C)c1ccc(OC)cc1OCCCCO
InChIInChI=1S/C16H27NO3/c1-4-9-17-13(2)15-8-7-14(19-3)12-16(15)20-11-6-5-10-18/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3
InChIKeyDLONULFQMKGZCU-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 82000365

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol?
The IUPAC name of 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol (CID 82000949) is 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol.
What is the SMILES notation for 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol?
The canonical SMILES for 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol is CCCNC(C)c1ccc(OC)cc1OCCCCO.
What is the InChIKey of 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol?
The InChIKey is DLONULFQMKGZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-9-17-13(2)15-8-7-14(19-3)12-16(15)20-11-6-5-10-18/h7-8,12-13,17-18H,4-6,9-11H2,1-3H3.
What are the key properties of 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol?
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol is sourced from PubChem (CID 82000949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).