2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol

C11H14ClNO — CID 84782027

IUPAC2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(C2(N)CC2)c(O)c1Cl
InChIInChI=1S/C11H14ClNO/c1-6-5-7(2)9(12)10(14)8(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3
InChIKeyBSHMMJYLLVCBMV-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.61
Rot. Bonds1

About 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol

2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol (PubChem CID 84782027) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
PubChem CID84782027
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(C2(N)CC2)c(O)c1Cl
InChIInChI=1S/C11H14ClNO/c1-6-5-7(2)9(12)10(14)8(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3
InChIKeyBSHMMJYLLVCBMV-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.61
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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Related Compounds

1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
CID 84774677
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
CID 84783126
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
CID 84772869

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol?
The IUPAC name of 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol (CID 84782027) is 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol is Cc1cc(C)c(C2(N)CC2)c(O)c1Cl.
What is the InChIKey of 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol?
The InChIKey is BSHMMJYLLVCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-6-5-7(2)9(12)10(14)8(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3.
What are the key properties of 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol?
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol is sourced from PubChem (CID 84782027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).