2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol

C10H12ClNO2 — CID 84783043

IUPAC2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
SMILESCOc1cc(C2(N)CC2)c(O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-6(10(12)2-3-10)8(13)5-7(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyBLUWHEYLQVTUAT-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.00
Rot. Bonds2

About 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol

2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol (PubChem CID 84783043) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
PubChem CID84783043
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
SMILESCOc1cc(C2(N)CC2)c(O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-6(10(12)2-3-10)8(13)5-7(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyBLUWHEYLQVTUAT-UHFFFAOYSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.00
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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Related Compounds

2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
CID 84811063
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(5-chloro-2-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394985
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol?
The IUPAC name of 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol (CID 84783043) is 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol is COc1cc(C2(N)CC2)c(O)cc1Cl.
What is the InChIKey of 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol?
The InChIKey is BLUWHEYLQVTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-4-6(10(12)2-3-10)8(13)5-7(9)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol?
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol has a molecular weight of 213.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol is sourced from PubChem (CID 84783043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).