6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol

C15H20F3NO2 — CID 117488343

IUPAC6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(C2(CN)CCCCC2)c1O
InChIInChI=1S/C15H20F3NO2/c1-21-13-11(15(16,17)18)6-5-10(12(13)20)14(9-19)7-3-2-4-8-14/h5-6,20H,2-4,7-9,19H2,1H3
InChIKeyYJHACAKQWWPTSR-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.58
Rot. Bonds3

About 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol

6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol (PubChem CID 117488343) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
PubChem CID117488343
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(C2(CN)CCCCC2)c1O
InChIInChI=1S/C15H20F3NO2/c1-21-13-11(15(16,17)18)6-5-10(12(13)20)14(9-19)7-3-2-4-8-14/h5-6,20H,2-4,7-9,19H2,1H3
InChIKeyYJHACAKQWWPTSR-UHFFFAOYSA-N
XLogP3.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
2-[1-(aminomethyl)cyclobutyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117406723
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
4-[1-(aminomethyl)cyclobutyl]-5-(trifluoromethyl)benzene-1,2-diol
CID 117406720

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol?
The IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol (CID 117488343) is 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol is COc1c(C(F)(F)F)ccc(C2(CN)CCCCC2)c1O.
What is the InChIKey of 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol?
The InChIKey is YJHACAKQWWPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-21-13-11(15(16,17)18)6-5-10(12(13)20)14(9-19)7-3-2-4-8-14/h5-6,20H,2-4,7-9,19H2,1H3.
What are the key properties of 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol?
6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol has a molecular weight of 303.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117488343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).