2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride

C13H19ClINO — CID 45264140

IUPAC2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride
SMILESCC1(c2cc(I)c(O)c(CN)c2)CCCC1.Cl
InChIInChI=1S/C13H18INO.ClH/c1-13(4-2-3-5-13)10-6-9(8-15)12(16)11(14)7-10;/h6-7,16H,2-5,8,15H2,1H3;1H
InChIKeyUSWZWAVCZAVTDI-UHFFFAOYSA-N
MW367.66 g/mol
LogP3.71
Rot. Bonds2

About 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride

2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride (PubChem CID 45264140) has the molecular formula C13H19ClINO and a molecular weight of 367.66 g/mol. Its IUPAC name is 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride
PubChem CID45264140
Molecular FormulaC13H19ClINO
Molecular Weight367.66 g/mol
Exact Mass367.02
IUPAC Name2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride
SMILESCC1(c2cc(I)c(O)c(CN)c2)CCCC1.Cl
InChIInChI=1S/C13H18INO.ClH/c1-13(4-2-3-5-13)10-6-9(8-15)12(16)11(14)7-10;/h6-7,16H,2-5,8,15H2,1H3;1H
InChIKeyUSWZWAVCZAVTDI-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride (CID 45264140) is 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride is CC1(c2cc(I)c(O)c(CN)c2)CCCC1.Cl.
What is the InChIKey of 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride?
The InChIKey is USWZWAVCZAVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO.ClH/c1-13(4-2-3-5-13)10-6-9(8-15)12(16)11(14)7-10;/h6-7,16H,2-5,8,15H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride?
2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride has a molecular weight of 367.66 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-iodo-4-(1-methylcyclopentyl)phenol;hydrochloride is sourced from PubChem (CID 45264140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).