[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine

C15H19F4NO2 — CID 135337978

IUPAC[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine
SMILESCOc1cc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CN
InChIInChI=1S/C15H19F4NO2/c1-21-13-7-14(12(16)6-9(13)8-20)22-11-4-2-10(3-5-11)15(17,18)19/h6-7,10-11H,2-5,8,20H2,1H3
InChIKeyDKRAVNSXPNHHNY-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.79
Rot. Bonds4

About [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine

[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine (PubChem CID 135337978) has the molecular formula C15H19F4NO2 and a molecular weight of 321.31 g/mol. Its IUPAC name is [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine
PubChem CID135337978
Molecular FormulaC15H19F4NO2
Molecular Weight321.31 g/mol
Exact Mass321.14
IUPAC Name[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine
SMILESCOc1cc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CN
InChIInChI=1S/C15H19F4NO2/c1-21-13-7-14(12(16)6-9(13)8-20)22-11-4-2-10(3-5-11)15(17,18)19/h6-7,10-11H,2-5,8,20H2,1H3
InChIKeyDKRAVNSXPNHHNY-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine?
The IUPAC name of [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine (CID 135337978) is [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine?
The canonical SMILES for [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine is COc1cc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CN.
What is the InChIKey of [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine?
The InChIKey is DKRAVNSXPNHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO2/c1-21-13-7-14(12(16)6-9(13)8-20)22-11-4-2-10(3-5-11)15(17,18)19/h6-7,10-11H,2-5,8,20H2,1H3.
What are the key properties of [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine?
[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine has a molecular weight of 321.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine is sourced from PubChem (CID 135337978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).