2-(aminomethyl)-3-methylphenol;dihydrochloride

C8H13Cl2NO — CID 23210549

IUPAC2-(aminomethyl)-3-methylphenol;dihydrochloride
SMILESCc1cccc(O)c1CN.Cl.Cl
InChIInChI=1S/C8H11NO.2ClH/c1-6-3-2-4-8(10)7(6)5-9;;/h2-4,10H,5,9H2,1H3;2*1H
InChIKeyUFCYZBDDXCFDFV-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.00
Rot. Bonds1

About 2-(aminomethyl)-3-methylphenol;dihydrochloride

2-(aminomethyl)-3-methylphenol;dihydrochloride (PubChem CID 23210549) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methylphenol;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-methylphenol;dihydrochloride
PubChem CID23210549
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2-(aminomethyl)-3-methylphenol;dihydrochloride
SMILESCc1cccc(O)c1CN.Cl.Cl
InChIInChI=1S/C8H11NO.2ClH/c1-6-3-2-4-8(10)7(6)5-9;;/h2-4,10H,5,9H2,1H3;2*1H
InChIKeyUFCYZBDDXCFDFV-UHFFFAOYSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-3-methylphenol
CID 10997099
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
2-butyl-3-methylphenol
CID 174788119
2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
CID 83923743
2-(aminomethyl)-3-ethylphenol
CID 21467751
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
methanamine;2-methylphenol
CID 19359053
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-hexyl-3-methylphenol
CID 28322
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 159777739
3-methyl-2-(4-methylpentyl)phenol
CID 23036638

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methylphenol;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-3-methylphenol;dihydrochloride (CID 23210549) is 2-(aminomethyl)-3-methylphenol;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-methylphenol;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-methylphenol;dihydrochloride is Cc1cccc(O)c1CN.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-3-methylphenol;dihydrochloride?
The InChIKey is UFCYZBDDXCFDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.2ClH/c1-6-3-2-4-8(10)7(6)5-9;;/h2-4,10H,5,9H2,1H3;2*1H.
What are the key properties of 2-(aminomethyl)-3-methylphenol;dihydrochloride?
2-(aminomethyl)-3-methylphenol;dihydrochloride has a molecular weight of 210.10 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methylphenol;dihydrochloride is sourced from PubChem (CID 23210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).