3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol

C11H17NO3 — CID 64810173

IUPAC3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1ccc(CO)cc1
InChIInChI=1S/C11H17NO3/c1-12-10(7-14)8-15-11-4-2-9(6-13)3-5-11/h2-5,10,12-14H,6-8H2,1H3
InChIKeyUTYMHOVPFLSNCE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.14
Rot. Bonds6

About 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol

3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol (PubChem CID 64810173) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
PubChem CID64810173
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1ccc(CO)cc1
InChIInChI=1S/C11H17NO3/c1-12-10(7-14)8-15-11-4-2-9(6-13)3-5-11/h2-5,10,12-14H,6-8H2,1H3
InChIKeyUTYMHOVPFLSNCE-UHFFFAOYSA-N
XLogP0.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
2-(methylamino)-3-(4-phenylphenoxy)propan-1-ol
CID 64809575
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
1-(4-ethylphenoxy)-N-methylbutan-2-amine
CID 62038493
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
CID 64806251
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanenitrile
CID 63052980
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol (CID 64810173) is 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol is CNC(CO)COc1ccc(CO)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The InChIKey is UTYMHOVPFLSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-10(7-14)8-15-11-4-2-9(6-13)3-5-11/h2-5,10,12-14H,6-8H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64810173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).