acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C15H21F3N2O3 — CID 171924494

IUPACacetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(=O)O.NCc1ccc(C(F)(F)F)nc1OCC1CCCC1
InChIInChI=1S/C13H17F3N2O.C2H4O2/c14-13(15,16)11-6-5-10(7-17)12(18-11)19-8-9-3-1-2-4-9;1-2(3)4/h5-6,9H,1-4,7-8,17H2;1H3,(H,3,4)
InChIKeyJNULULOBBFEOID-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.22
Rot. Bonds4

About acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 171924494) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Nameacetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID171924494
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Nameacetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(=O)O.NCc1ccc(C(F)(F)F)nc1OCC1CCCC1
InChIInChI=1S/C13H17F3N2O.C2H4O2/c14-13(15,16)11-6-5-10(7-17)12(18-11)19-8-9-3-1-2-4-9;1-2(3)4/h5-6,9H,1-4,7-8,17H2;1H3,(H,3,4)
InChIKeyJNULULOBBFEOID-UHFFFAOYSA-N
XLogP3.22
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 171924494) is acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(=O)O.NCc1ccc(C(F)(F)F)nc1OCC1CCCC1.
What is the InChIKey of acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is JNULULOBBFEOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.C2H4O2/c14-13(15,16)11-6-5-10(7-17)12(18-11)19-8-9-3-1-2-4-9;1-2(3)4/h5-6,9H,1-4,7-8,17H2;1H3,(H,3,4).
What are the key properties of acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 334.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 171924494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).