3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol

C10H11ClFNO — CID 84784370

IUPAC3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
SMILESNCC1(c2c(Cl)ccc(O)c2F)CC1
InChIInChI=1S/C10H11ClFNO/c11-6-1-2-7(14)9(12)8(6)10(5-13)3-4-10/h1-2,14H,3-5,13H2
InChIKeyTYOGIYWNKRAKJK-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.17
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol

3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol (PubChem CID 84784370) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
PubChem CID84784370
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
SMILESNCC1(c2c(Cl)ccc(O)c2F)CC1
InChIInChI=1S/C10H11ClFNO/c11-6-1-2-7(14)9(12)8(6)10(5-13)3-4-10/h1-2,14H,3-5,13H2
InChIKeyTYOGIYWNKRAKJK-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.17
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
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
3-[1-(aminomethyl)cyclobutyl]-4-chlorobenzene-1,2-diol
CID 117327819
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
CID 117446810
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol (CID 84784370) is 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol is NCC1(c2c(Cl)ccc(O)c2F)CC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol?
The InChIKey is TYOGIYWNKRAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-6-1-2-7(14)9(12)8(6)10(5-13)3-4-10/h1-2,14H,3-5,13H2.
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol?
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol has a molecular weight of 215.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol is sourced from PubChem (CID 84784370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).