2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol

C10H14ClNO — CID 12652192

IUPAC2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol
SMILESCc1c(C)c(Cl)c(O)c(CN)c1C
InChIInChI=1S/C10H14ClNO/c1-5-6(2)8(4-12)10(13)9(11)7(5)3/h13H,4,12H2,1-3H3
InChIKeyKEWDJHHPEFAOLV-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.43
Rot. Bonds1

About 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol

2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol (PubChem CID 12652192) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol
PubChem CID12652192
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol
SMILESCc1c(C)c(Cl)c(O)c(CN)c1C
InChIInChI=1S/C10H14ClNO/c1-5-6(2)8(4-12)10(13)9(11)7(5)3/h13H,4,12H2,1-3H3
InChIKeyKEWDJHHPEFAOLV-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol?
The IUPAC name of 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol (CID 12652192) is 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol?
The canonical SMILES for 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol is Cc1c(C)c(Cl)c(O)c(CN)c1C.
What is the InChIKey of 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol?
The InChIKey is KEWDJHHPEFAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-5-6(2)8(4-12)10(13)9(11)7(5)3/h13H,4,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol?
2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-3,4,5-trimethylphenol is sourced from PubChem (CID 12652192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).