3-amino-2-(4-ethylphenoxy)pentan-1-ol

C13H21NO2 — CID 104840555

IUPAC3-amino-2-(4-ethylphenoxy)pentan-1-ol
SMILESCCc1ccc(OC(CO)C(N)CC)cc1
InChIInChI=1S/C13H21NO2/c1-3-10-5-7-11(8-6-10)16-13(9-15)12(14)4-2/h5-8,12-13,15H,3-4,9,14H2,1-2H3
InChIKeyAFRBIDPFDXRLIW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-2-(4-ethylphenoxy)pentan-1-ol

3-amino-2-(4-ethylphenoxy)pentan-1-ol (PubChem CID 104840555) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2-(4-ethylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-ethylphenoxy)pentan-1-ol
PubChem CID104840555
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-amino-2-(4-ethylphenoxy)pentan-1-ol
SMILESCCc1ccc(OC(CO)C(N)CC)cc1
InChIInChI=1S/C13H21NO2/c1-3-10-5-7-11(8-6-10)16-13(9-15)12(14)4-2/h5-8,12-13,15H,3-4,9,14H2,1-2H3
InChIKeyAFRBIDPFDXRLIW-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)pentan-3-amine
CID 16791900
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
CID 114358070
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
2-(4-ethylphenoxy)pentan-3-one
CID 64866307
(4-ethylphenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120931
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
3-(4-ethylphenoxy)pentane-2,4-dione
CID 86102382

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethylphenoxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(4-ethylphenoxy)pentan-1-ol (CID 104840555) is 3-amino-2-(4-ethylphenoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(4-ethylphenoxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(4-ethylphenoxy)pentan-1-ol is CCc1ccc(OC(CO)C(N)CC)cc1.
What is the InChIKey of 3-amino-2-(4-ethylphenoxy)pentan-1-ol?
The InChIKey is AFRBIDPFDXRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-10-5-7-11(8-6-10)16-13(9-15)12(14)4-2/h5-8,12-13,15H,3-4,9,14H2,1-2H3.
What are the key properties of 3-amino-2-(4-ethylphenoxy)pentan-1-ol?
3-amino-2-(4-ethylphenoxy)pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethylphenoxy)pentan-1-ol is sourced from PubChem (CID 104840555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).