[4-octoxy-2-(trifluoromethyl)phenyl]methanamine

C16H24F3NO — CID 43320906

IUPAC[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
SMILESCCCCCCCCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-10-21-14-9-8-13(12-20)15(11-14)16(17,18)19/h8-9,11H,2-7,10,12,20H2,1H3
InChIKeyRMZZZNQQEWPTFR-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.90
Rot. Bonds9

About [4-octoxy-2-(trifluoromethyl)phenyl]methanamine

[4-octoxy-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43320906) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-octoxy-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
PubChem CID43320906
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
SMILESCCCCCCCCOc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-10-21-14-9-8-13(12-20)15(11-14)16(17,18)19/h8-9,11H,2-7,10,12,20H2,1H3
InChIKeyRMZZZNQQEWPTFR-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
[2-(aminomethyl)-4-octoxyphenyl]methanethiol
CID 139514618
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
5-dodecoxy-2-(trifluoromethyl)phenol
CID 169297983
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
1-octoxy-4-(4-octoxyphenyl)-2-(trifluoromethyl)benzene
CID 139992979
[4-decoxy-2-(trifluoromethyl)phenyl]-(trifluoromethylsulfonyl)azanide
CID 168826389
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900

Frequently Asked Questions

What is the IUPAC name of [4-octoxy-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-octoxy-2-(trifluoromethyl)phenyl]methanamine (CID 43320906) is [4-octoxy-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-octoxy-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-octoxy-2-(trifluoromethyl)phenyl]methanamine is CCCCCCCCOc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of [4-octoxy-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RMZZZNQQEWPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-10-21-14-9-8-13(12-20)15(11-14)16(17,18)19/h8-9,11H,2-7,10,12,20H2,1H3.
What are the key properties of [4-octoxy-2-(trifluoromethyl)phenyl]methanamine?
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.37 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-octoxy-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43320906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).