1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C15H25NO3 — CID 14029276

IUPAC1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-7-5-4-6-13(15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyRQZBCLSVVDPFIC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.61
Rot. Bonds9

About 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 14029276) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID14029276
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-7-5-4-6-13(15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyRQZBCLSVVDPFIC-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471085
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 14029276) is 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is COCCc1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RQZBCLSVVDPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-7-5-4-6-13(15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 14029276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).