2-(1-aminocyclopropyl)-4-(dimethylamino)phenol

C11H16N2O — CID 117283257

IUPAC2-(1-aminocyclopropyl)-4-(dimethylamino)phenol
SMILESCN(C)c1ccc(O)c(C2(N)CC2)c1
InChIInChI=1S/C11H16N2O/c1-13(2)8-3-4-10(14)9(7-8)11(12)5-6-11/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyKDLXTNHDEMKSEW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.41
Rot. Bonds2

About 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol

2-(1-aminocyclopropyl)-4-(dimethylamino)phenol (PubChem CID 117283257) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-4-(dimethylamino)phenol
PubChem CID117283257
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(1-aminocyclopropyl)-4-(dimethylamino)phenol
SMILESCN(C)c1ccc(O)c(C2(N)CC2)c1
InChIInChI=1S/C11H16N2O/c1-13(2)8-3-4-10(14)9(7-8)11(12)5-6-11/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyKDLXTNHDEMKSEW-UHFFFAOYSA-N
XLogP1.41
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.41
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 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol?
The IUPAC name of 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol (CID 117283257) is 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol is CN(C)c1ccc(O)c(C2(N)CC2)c1.
What is the InChIKey of 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol?
The InChIKey is KDLXTNHDEMKSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2)8-3-4-10(14)9(7-8)11(12)5-6-11/h3-4,7,14H,5-6,12H2,1-2H3.
What are the key properties of 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol?
2-(1-aminocyclopropyl)-4-(dimethylamino)phenol has a molecular weight of 192.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-4-(dimethylamino)phenol is sourced from PubChem (CID 117283257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).