4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol

C13H21NO2 — CID 83922954

IUPAC4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)CC(CN)CO)ccc1O
InChIInChI=1S/C13H21NO2/c1-9(5-11(7-14)8-15)12-3-4-13(16)10(2)6-12/h3-4,6,9,11,15-16H,5,7-8,14H2,1-2H3
InChIKeyPJRQZYYMDWXGFB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds5

About 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol

4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol (PubChem CID 83922954) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
PubChem CID83922954
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)CC(CN)CO)ccc1O
InChIInChI=1S/C13H21NO2/c1-9(5-11(7-14)8-15)12-3-4-13(16)10(2)6-12/h3-4,6,9,11,15-16H,5,7-8,14H2,1-2H3
InChIKeyPJRQZYYMDWXGFB-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738
4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
CID 83922958
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-(4-chlorobutan-2-yl)-2-methylphenol
CID 83922938
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
CID 83934656
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
4-(3,4-dimethylphenyl)pentane-1,2-diol
CID 83927966
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-methyl-4-(1-propylsulfanylpropan-2-yl)phenol
CID 14711850
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol?
The IUPAC name of 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol (CID 83922954) is 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol is Cc1cc(C(C)CC(CN)CO)ccc1O.
What is the InChIKey of 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol?
The InChIKey is PJRQZYYMDWXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(5-11(7-14)8-15)12-3-4-13(16)10(2)6-12/h3-4,6,9,11,15-16H,5,7-8,14H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol?
4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol is sourced from PubChem (CID 83922954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).