[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

C15H23F3N2O — CID 79874084

IUPAC[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCCCC(C)Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H23F3N2O/c1-3-4-5-6-7-11(2)21-14-12(10-19)8-9-13(20-14)15(16,17)18/h8-9,11H,3-7,10,19H2,1-2H3
InChIKeyICLKNVDKPWQZKD-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.30
Rot. Bonds8

About [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79874084) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79874084
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCCCC(C)Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H23F3N2O/c1-3-4-5-6-7-11(2)21-14-12(10-19)8-9-13(20-14)15(16,17)18/h8-9,11H,3-7,10,19H2,1-2H3
InChIKeyICLKNVDKPWQZKD-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 79873820
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
(2-bromo-3-fluoro-4-octan-2-yloxyphenyl)methanamine
CID 107532631
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876736
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685

Frequently Asked Questions

What is the IUPAC name of [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79874084) is [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is CCCCCCC(C)Oc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is ICLKNVDKPWQZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-4-5-6-7-11(2)21-14-12(10-19)8-9-13(20-14)15(16,17)18/h8-9,11H,3-7,10,19H2,1-2H3.
What are the key properties of [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79874084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).