2-(aminomethyl)-3-chloro-6-methylphenol

C8H10ClNO — CID 84766114

IUPAC2-(aminomethyl)-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(CN)c1O
InChIInChI=1S/C8H10ClNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,4,10H2,1H3
InChIKeyVYFHRDUGNYDCBE-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.81
Rot. Bonds1

About 2-(aminomethyl)-3-chloro-6-methylphenol

2-(aminomethyl)-3-chloro-6-methylphenol (PubChem CID 84766114) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-6-methylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-6-methylphenol
PubChem CID84766114
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(aminomethyl)-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(CN)c1O
InChIInChI=1S/C8H10ClNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,4,10H2,1H3
InChIKeyVYFHRDUGNYDCBE-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.81
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

1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 159859683
2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
CID 66514115
6-chloro-2-ethyl-3-methylphenol
CID 123495023
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-6-methylphenol?
The IUPAC name of 2-(aminomethyl)-3-chloro-6-methylphenol (CID 84766114) is 2-(aminomethyl)-3-chloro-6-methylphenol.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-6-methylphenol?
The canonical SMILES for 2-(aminomethyl)-3-chloro-6-methylphenol is Cc1ccc(Cl)c(CN)c1O.
What is the InChIKey of 2-(aminomethyl)-3-chloro-6-methylphenol?
The InChIKey is VYFHRDUGNYDCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-6-methylphenol?
2-(aminomethyl)-3-chloro-6-methylphenol has a molecular weight of 171.63 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-6-methylphenol is sourced from PubChem (CID 84766114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).