4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol

C13H21NO2 — CID 61240678

IUPAC4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
SMILESCC(C)CC(CO)NCc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)7-12(9-15)14-8-11-3-5-13(16)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3
InChIKeyCRTSKZQINTXFED-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds6

About 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol

4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol (PubChem CID 61240678) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
PubChem CID61240678
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
SMILESCC(C)CC(CO)NCc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)7-12(9-15)14-8-11-3-5-13(16)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3
InChIKeyCRTSKZQINTXFED-UHFFFAOYSA-N
XLogP1.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61246719
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
CID 111478244
4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
CID 115715682

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol (CID 61240678) is 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol is CC(C)CC(CO)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol?
The InChIKey is CRTSKZQINTXFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)7-12(9-15)14-8-11-3-5-13(16)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3.
What are the key properties of 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol?
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 61240678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).