4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol

C13H20N2O — CID 84787545

IUPAC4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(C2(N)CC2)cc(CN(C)C)c1O
InChIInChI=1S/C13H20N2O/c1-9-6-11(13(14)4-5-13)7-10(12(9)16)8-15(2)3/h6-7,16H,4-5,8,14H2,1-3H3
InChIKeyJNZUAJPHKYMXBV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds3

About 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol

4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol (PubChem CID 84787545) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol
PubChem CID84787545
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(C2(N)CC2)cc(CN(C)C)c1O
InChIInChI=1S/C13H20N2O/c1-9-6-11(13(14)4-5-13)7-10(12(9)16)8-15(2)3/h6-7,16H,4-5,8,14H2,1-3H3
InChIKeyJNZUAJPHKYMXBV-UHFFFAOYSA-N
XLogP1.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol (CID 84787545) is 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol is Cc1cc(C2(N)CC2)cc(CN(C)C)c1O.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The InChIKey is JNZUAJPHKYMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-11(13(14)4-5-13)7-10(12(9)16)8-15(2)3/h6-7,16H,4-5,8,14H2,1-3H3.
What are the key properties of 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol?
4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol has a molecular weight of 220.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 84787545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).