2-(aminomethyl)-4-propylphenol;hydrochloride

C10H16ClNO — CID 21430768

IUPAC2-(aminomethyl)-4-propylphenol;hydrochloride
SMILESCCCc1ccc(O)c(CN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-3-8-4-5-10(12)9(6-8)7-11;/h4-6,12H,2-3,7,11H2,1H3;1H
InChIKeyAYMCQNYDLPOAAO-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.23
Rot. Bonds3

About 2-(aminomethyl)-4-propylphenol;hydrochloride

2-(aminomethyl)-4-propylphenol;hydrochloride (PubChem CID 21430768) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(aminomethyl)-4-propylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-propylphenol;hydrochloride
PubChem CID21430768
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(aminomethyl)-4-propylphenol;hydrochloride
SMILESCCCc1ccc(O)c(CN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-3-8-4-5-10(12)9(6-8)7-11;/h4-6,12H,2-3,7,11H2,1H3;1H
InChIKeyAYMCQNYDLPOAAO-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.23
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)-4-propylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-propylphenol;hydrochloride (CID 21430768) is 2-(aminomethyl)-4-propylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-propylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-propylphenol;hydrochloride is CCCc1ccc(O)c(CN)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-4-propylphenol;hydrochloride?
The InChIKey is AYMCQNYDLPOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-3-8-4-5-10(12)9(6-8)7-11;/h4-6,12H,2-3,7,11H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-4-propylphenol;hydrochloride?
2-(aminomethyl)-4-propylphenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-propylphenol;hydrochloride is sourced from PubChem (CID 21430768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).