2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol

C14H19ClFNO2 — CID 117464477

IUPAC2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C14H19ClFNO2/c1-19-10-7-9(16)12(15)11(13(10)18)14(8-17)5-3-2-4-6-14/h7,18H,2-6,8,17H2,1H3
InChIKeyAVTHVKNOGKNIIR-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.35
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol

2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol (PubChem CID 117464477) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
PubChem CID117464477
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C14H19ClFNO2/c1-19-10-7-9(16)12(15)11(13(10)18)14(8-17)5-3-2-4-6-14/h7,18H,2-6,8,17H2,1H3
InChIKeyAVTHVKNOGKNIIR-UHFFFAOYSA-N
XLogP3.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol (CID 117464477) is 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol is COc1cc(F)c(Cl)c(C2(CN)CCCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol?
The InChIKey is AVTHVKNOGKNIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-19-10-7-9(16)12(15)11(13(10)18)14(8-17)5-3-2-4-6-14/h7,18H,2-6,8,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol?
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol has a molecular weight of 287.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117464477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).