2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide

C14H17F3N2O — CID 66323058

IUPAC2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-5-6-12(11(7-10)13(18)19)20-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H3,18,19)
InChIKeyVBWAAEGPBBVTPJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.56
Rot. Bonds4

About 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide

2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 66323058) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID66323058
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-5-6-12(11(7-10)13(18)19)20-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H3,18,19)
InChIKeyVBWAAEGPBBVTPJ-UHFFFAOYSA-N
XLogP3.56
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 62381527
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053
2-(cyclohexylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 63520358
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43584579
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide (CID 66323058) is 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VBWAAEGPBBVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-5-6-12(11(7-10)13(18)19)20-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H3,18,19).
What are the key properties of 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide?
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 286.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 66323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).