1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

C15H25NO3 — CID 107664454

IUPAC1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-12-6-7-14(15(8-12)18-4)19-10-13(17)9-16-11(2)3/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyHNZSEPYUUCEYBH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.00
Rot. Bonds8

About 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 107664454) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID107664454
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-12-6-7-14(15(8-12)18-4)19-10-13(17)9-16-11(2)3/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyHNZSEPYUUCEYBH-UHFFFAOYSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzonitrile
CID 43166080
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide
CID 21397689
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
1-(2-methoxy-4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;N-methylformamide
CID 21397706
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 107664454) is 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCc1ccc(OCC(O)CNC(C)C)c(OC)c1.
What is the InChIKey of 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is HNZSEPYUUCEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-12-6-7-14(15(8-12)18-4)19-10-13(17)9-16-11(2)3/h6-8,11,13,16-17H,5,9-10H2,1-4H3.
What are the key properties of 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 107664454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).