4-(aminomethyl)-3-chlorophenol;dihydrochloride

C7H10Cl3NO — CID 133059883

IUPAC4-(aminomethyl)-3-chlorophenol;dihydrochloride
SMILESCl.Cl.NCc1ccc(O)cc1Cl
InChIInChI=1S/C7H8ClNO.2ClH/c8-7-3-6(10)2-1-5(7)4-9;;/h1-3,10H,4,9H2;2*1H
InChIKeyAKXSYZGQXPFFHW-UHFFFAOYSA-N
MW230.52 g/mol
LogP2.35
Rot. Bonds1

About 4-(aminomethyl)-3-chlorophenol;dihydrochloride

4-(aminomethyl)-3-chlorophenol;dihydrochloride (PubChem CID 133059883) has the molecular formula C7H10Cl3NO and a molecular weight of 230.52 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chlorophenol;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-chlorophenol;dihydrochloride
PubChem CID133059883
Molecular FormulaC7H10Cl3NO
Molecular Weight230.52 g/mol
Exact Mass228.98
IUPAC Name4-(aminomethyl)-3-chlorophenol;dihydrochloride
SMILESCl.Cl.NCc1ccc(O)cc1Cl
InChIInChI=1S/C7H8ClNO.2ClH/c8-7-3-6(10)2-1-5(7)4-9;;/h1-3,10H,4,9H2;2*1H
InChIKeyAKXSYZGQXPFFHW-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chlorophenol;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-3-chlorophenol;dihydrochloride (CID 133059883) is 4-(aminomethyl)-3-chlorophenol;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-chlorophenol;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-chlorophenol;dihydrochloride is Cl.Cl.NCc1ccc(O)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chlorophenol;dihydrochloride?
The InChIKey is AKXSYZGQXPFFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.2ClH/c8-7-3-6(10)2-1-5(7)4-9;;/h1-3,10H,4,9H2;2*1H.
What are the key properties of 4-(aminomethyl)-3-chlorophenol;dihydrochloride?
4-(aminomethyl)-3-chlorophenol;dihydrochloride has a molecular weight of 230.52 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chlorophenol;dihydrochloride is sourced from PubChem (CID 133059883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).