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

C12H19NO2 — CID 61055515

IUPAC4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
SMILESCNC(C)(CO)CCc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(9-14,13-2)8-7-10-3-5-11(15)6-4-10/h3-6,13-15H,7-9H2,1-2H3
InChIKeySLKOAJWFZKZUKJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds5

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

4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol (PubChem CID 61055515) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol.

Molecular Properties

Compound Name4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
PubChem CID61055515
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
SMILESCNC(C)(CO)CCc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(9-14,13-2)8-7-10-3-5-11(15)6-4-10/h3-6,13-15H,7-9H2,1-2H3
InChIKeySLKOAJWFZKZUKJ-UHFFFAOYSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
CID 68992190
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
4-(3,3-difluorobutyl)phenol
CID 84660566
2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
CID 141207960
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
CID 71156678
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
4-(4,4-dimethylpentyl)phenol
CID 20692467
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
CID 16791985
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol?
The IUPAC name of 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol (CID 61055515) is 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol.
What is the SMILES notation for 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol?
The canonical SMILES for 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol is CNC(C)(CO)CCc1ccc(O)cc1.
What is the InChIKey of 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol?
The InChIKey is SLKOAJWFZKZUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(9-14,13-2)8-7-10-3-5-11(15)6-4-10/h3-6,13-15H,7-9H2,1-2H3.
What are the key properties of 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol?
4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol is sourced from PubChem (CID 61055515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).