4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol

C13H17ClFNO — CID 117397912

IUPAC4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
SMILESNCC1(c2cc(Cl)c(O)cc2F)CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-10-6-9(11(15)7-12(10)17)13(8-16)4-2-1-3-5-13/h6-7,17H,1-5,8,16H2
InChIKeyZEOMEDCDAMRYKZ-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.35
Rot. Bonds2

About 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol

4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol (PubChem CID 117397912) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
PubChem CID117397912
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
SMILESNCC1(c2cc(Cl)c(O)cc2F)CCCCC1
InChIInChI=1S/C13H17ClFNO/c14-10-6-9(11(15)7-12(10)17)13(8-16)4-2-1-3-5-13/h6-7,17H,1-5,8,16H2
InChIKeyZEOMEDCDAMRYKZ-UHFFFAOYSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol?
The IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol (CID 117397912) is 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol is NCC1(c2cc(Cl)c(O)cc2F)CCCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol?
The InChIKey is ZEOMEDCDAMRYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-10-6-9(11(15)7-12(10)17)13(8-16)4-2-1-3-5-13/h6-7,17H,1-5,8,16H2.
What are the key properties of 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol?
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol has a molecular weight of 257.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol is sourced from PubChem (CID 117397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).