2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol

C13H21NO2 — CID 83923738

IUPAC2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
SMILESCc1cccc(O)c1C(C)CC(CN)CO
InChIInChI=1S/C13H21NO2/c1-9-4-3-5-12(16)13(9)10(2)6-11(7-14)8-15/h3-5,10-11,15-16H,6-8,14H2,1-2H3
InChIKeyHLYHCQPEANHHFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol

2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol (PubChem CID 83923738) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
PubChem CID83923738
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
SMILESCc1cccc(O)c1C(C)CC(CN)CO
InChIInChI=1S/C13H21NO2/c1-9-4-3-5-12(16)13(9)10(2)6-11(7-14)8-15/h3-5,10-11,15-16H,6-8,14H2,1-2H3
InChIKeyHLYHCQPEANHHFF-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

4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
CID 83922954
2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
CID 83923743
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2-(aminomethyl)-4-pyridin-2-ylpentan-1-ol
CID 83929964
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
CID 112717400
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
2-(1-ethoxyethyl)-3-methylphenol
CID 67321462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol?
The IUPAC name of 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol (CID 83923738) is 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol?
The canonical SMILES for 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol is Cc1cccc(O)c1C(C)CC(CN)CO.
What is the InChIKey of 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol?
The InChIKey is HLYHCQPEANHHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-4-3-5-12(16)13(9)10(2)6-11(7-14)8-15/h3-5,10-11,15-16H,6-8,14H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol?
2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-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 2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol is sourced from PubChem (CID 83923738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).