2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol

C11H13ClFNO — CID 84793301

IUPAC2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
SMILESCc1cc(Cl)c(O)c(C2(CN)CC2)c1F
InChIInChI=1S/C11H13ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeySIZJQJUNSPACCO-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.48
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol

2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol (PubChem CID 84793301) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
PubChem CID84793301
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
SMILESCc1cc(Cl)c(O)c(C2(CN)CC2)c1F
InChIInChI=1S/C11H13ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeySIZJQJUNSPACCO-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
CID 84790485
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
CID 117361338
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol (CID 84793301) is 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol is Cc1cc(Cl)c(O)c(C2(CN)CC2)c1F.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol?
The InChIKey is SIZJQJUNSPACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol?
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol has a molecular weight of 229.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol is sourced from PubChem (CID 84793301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).