3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride

C10H16ClNO — CID 170918591

IUPAC3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride
SMILESCc1cc(C)c(CN)c(C)c1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)8(3)9(6)5-11;/h4,12H,5,11H2,1-3H3;1H
InChIKeyZAPXXFASHCHCAA-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.20
Rot. Bonds1

About 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride

3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride (PubChem CID 170918591) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride
PubChem CID170918591
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride
SMILESCc1cc(C)c(CN)c(C)c1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)8(3)9(6)5-11;/h4,12H,5,11H2,1-3H3;1H
InChIKeyZAPXXFASHCHCAA-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride?
The IUPAC name of 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride (CID 170918591) is 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride is Cc1cc(C)c(CN)c(C)c1O.Cl.
What is the InChIKey of 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride?
The InChIKey is ZAPXXFASHCHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)8(3)9(6)5-11;/h4,12H,5,11H2,1-3H3;1H.
What are the key properties of 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride?
3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4,6-trimethylphenol;hydrochloride is sourced from PubChem (CID 170918591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).