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

C10H16ClNO — CID 45259822

IUPAC2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride
SMILESCc1cc(C)c(O)c(CN)c1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)9(5-11)8(6)3;/h4,12H,5,11H2,1-3H3;1H
InChIKeyOSMRDDDHYCTHJH-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.20
Rot. Bonds1

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

2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride (PubChem CID 45259822) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride
PubChem CID45259822
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride
SMILESCc1cc(C)c(O)c(CN)c1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)9(5-11)8(6)3;/h4,12H,5,11H2,1-3H3;1H
InChIKeyOSMRDDDHYCTHJH-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

Computed Properties (RDKit)

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

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Related Compounds

MK-4815
CID 10354063
1-(Aminomethyl)naphthalen-2-ol
CID 241200
5-methyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-propan-2-ylphenol
CID 8159868
5-(Aminomethyl)naphthalen-2-ol
CID 44352201
1-(Aminomethyl)naphthalen-2-ol hydrochloride
CID 2752151
2-Aminomethyl-4-(1,1-dimethylethyl)phenol hydrochloride
CID 21296950
Tris[(dimethylamino)methyl]phenol
CID 3015276
2-(Diethylaminomethyl)-3,6-dimethylphenol
CID 246662
2-Aminomethyl-4-t-butyl-6-iodophenol
CID 119286
2-Aminomethyl-4-tert-butyl-6-iodophenol hydrochloride
CID 12634263
1-[(Octylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531480
4-[[4-(2-Aminoethyl)-2-methylphenyl]methyl]phenol
CID 162674613

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride (CID 45259822) is 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride is Cc1cc(C)c(O)c(CN)c1C.Cl.
What is the InChIKey of 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride?
The InChIKey is OSMRDDDHYCTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-6-4-7(2)10(12)9(5-11)8(6)3;/h4,12H,5,11H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride?
2-(aminomethyl)-3,4,6-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 2-(aminomethyl)-3,4,6-trimethylphenol;hydrochloride is sourced from PubChem (CID 45259822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).