3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol

C14H20FNO2 — CID 117386077

IUPAC3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(C2(N)CCCCC2)c(F)c1O
InChIInChI=1S/C14H20FNO2/c1-9-8-10(11(15)12(17)13(9)18-2)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyNEPNIOHTSPWDKA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.97
Rot. Bonds2

About 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol

3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol (PubChem CID 117386077) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
PubChem CID117386077
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(C2(N)CCCCC2)c(F)c1O
InChIInChI=1S/C14H20FNO2/c1-9-8-10(11(15)12(17)13(9)18-2)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyNEPNIOHTSPWDKA-UHFFFAOYSA-N
XLogP2.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol?
The IUPAC name of 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol (CID 117386077) is 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol?
The canonical SMILES for 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol is COc1c(C)cc(C2(N)CCCCC2)c(F)c1O.
What is the InChIKey of 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol?
The InChIKey is NEPNIOHTSPWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-10(11(15)12(17)13(9)18-2)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3.
What are the key properties of 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol?
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol has a molecular weight of 253.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol is sourced from PubChem (CID 117386077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).