5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid

C14H18FNO3 — CID 117421573

IUPAC5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
SMILESNCC1(c2cc(F)c(O)c(C(=O)O)c2)CCCCC1
InChIInChI=1S/C14H18FNO3/c15-11-7-9(6-10(12(11)17)13(18)19)14(8-16)4-2-1-3-5-14/h6-7,17H,1-5,8,16H2,(H,18,19)
InChIKeyQAUZKKOSLMRBLL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.39
Rot. Bonds3

About 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid

5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117421573) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
PubChem CID117421573
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
SMILESNCC1(c2cc(F)c(O)c(C(=O)O)c2)CCCCC1
InChIInChI=1S/C14H18FNO3/c15-11-7-9(6-10(12(11)17)13(18)19)14(8-16)4-2-1-3-5-14/h6-7,17H,1-5,8,16H2,(H,18,19)
InChIKeyQAUZKKOSLMRBLL-UHFFFAOYSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
CID 117421579
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286
5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
CID 117453420
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxybenzoic acid
CID 117385602
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid (CID 117421573) is 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid is NCC1(c2cc(F)c(O)c(C(=O)O)c2)CCCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is QAUZKKOSLMRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-11-7-9(6-10(12(11)17)13(18)19)14(8-16)4-2-1-3-5-14/h6-7,17H,1-5,8,16H2,(H,18,19).
What are the key properties of 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid?
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117421573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).