3-[3-hydroxy-4-(methylamino)butyl]phenol

C11H17NO2 — CID 174708879

IUPAC3-[3-hydroxy-4-(methylamino)butyl]phenol
SMILESCNCC(O)CCc1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-12-8-11(14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11-14H,5-6,8H2,1H3
InChIKeyNCJAFRNDRIKPRD-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.91
Rot. Bonds5

About 3-[3-hydroxy-4-(methylamino)butyl]phenol

3-[3-hydroxy-4-(methylamino)butyl]phenol (PubChem CID 174708879) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[3-hydroxy-4-(methylamino)butyl]phenol.

Molecular Properties

Compound Name3-[3-hydroxy-4-(methylamino)butyl]phenol
PubChem CID174708879
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[3-hydroxy-4-(methylamino)butyl]phenol
SMILESCNCC(O)CCc1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-12-8-11(14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11-14H,5-6,8H2,1H3
InChIKeyNCJAFRNDRIKPRD-UHFFFAOYSA-N
XLogP0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxypentyl)phenol
CID 21193621
3-(3-fluorobutyl)phenol
CID 84653086
4-(3-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026690
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[(4-propylphenyl)methyl]phenol
CID 67607655
3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
CID 141037796
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
phenol;3-propylphenol
CID 66960022

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-4-(methylamino)butyl]phenol?
The IUPAC name of 3-[3-hydroxy-4-(methylamino)butyl]phenol (CID 174708879) is 3-[3-hydroxy-4-(methylamino)butyl]phenol.
What is the SMILES notation for 3-[3-hydroxy-4-(methylamino)butyl]phenol?
The canonical SMILES for 3-[3-hydroxy-4-(methylamino)butyl]phenol is CNCC(O)CCc1cccc(O)c1.
What is the InChIKey of 3-[3-hydroxy-4-(methylamino)butyl]phenol?
The InChIKey is NCJAFRNDRIKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-8-11(14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11-14H,5-6,8H2,1H3.
What are the key properties of 3-[3-hydroxy-4-(methylamino)butyl]phenol?
3-[3-hydroxy-4-(methylamino)butyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-4-(methylamino)butyl]phenol is sourced from PubChem (CID 174708879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).