4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol

C12H19NO3 — CID 64803973

IUPAC4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1ccccc1OC
InChIInChI=1S/C12H19NO3/c1-13-10(9-14)7-8-16-12-6-4-3-5-11(12)15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYYIULNZBUQQOMJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.04
Rot. Bonds7

About 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol

4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol (PubChem CID 64803973) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
PubChem CID64803973
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOc1ccccc1OC
InChIInChI=1S/C12H19NO3/c1-13-10(9-14)7-8-16-12-6-4-3-5-11(12)15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYYIULNZBUQQOMJ-UHFFFAOYSA-N
XLogP1.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
CID 64805286
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol (CID 64803973) is 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol is CNC(CO)CCOc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol?
The InChIKey is YYIULNZBUQQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-10(9-14)7-8-16-12-6-4-3-5-11(12)15-2/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol?
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64803973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).