3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol

C17H29NO3 — CID 106285812

IUPAC3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)COc1cccc(C)c1
InChIInChI=1S/C17H29NO3/c1-4-14(5-2)17(20)11-18-10-15(19)12-21-16-8-6-7-13(3)9-16/h6-9,14-15,17-20H,4-5,10-12H2,1-3H3
InChIKeyUQJYSOHUJVIINI-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.12
Rot. Bonds10

About 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol

3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol (PubChem CID 106285812) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
PubChem CID106285812
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)COc1cccc(C)c1
InChIInChI=1S/C17H29NO3/c1-4-14(5-2)17(20)11-18-10-15(19)12-21-16-8-6-7-13(3)9-16/h6-9,14-15,17-20H,4-5,10-12H2,1-3H3
InChIKeyUQJYSOHUJVIINI-UHFFFAOYSA-N
XLogP2.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)butan-2-ol
CID 13089920
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 70414430
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 111434675
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol (CID 106285812) is 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol is CCC(CC)C(O)CNCC(O)COc1cccc(C)c1.
What is the InChIKey of 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol?
The InChIKey is UQJYSOHUJVIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-14(5-2)17(20)11-18-10-15(19)12-21-16-8-6-7-13(3)9-16/h6-9,14-15,17-20H,4-5,10-12H2,1-3H3.
What are the key properties of 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol?
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol is sourced from PubChem (CID 106285812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).