N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine

C14H15F3N2O — CID 106888255

IUPACN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C14H15F3N2O/c1-9(2)19-7-10-3-4-13(20-10)11-8-18-6-5-12(11)14(15,16)17/h3-6,8-9,19H,7H2,1-2H3
InChIKeyUBLGYCLDOKXLJZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.86
Rot. Bonds4

About N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 106888255) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
PubChem CID106888255
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C14H15F3N2O/c1-9(2)19-7-10-3-4-13(20-10)11-8-18-6-5-12(11)14(15,16)17/h3-6,8-9,19H,7H2,1-2H3
InChIKeyUBLGYCLDOKXLJZ-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
CID 106888261
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
CID 102708697
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
N-[(5-pyrazin-2-ylfuran-2-yl)methyl]propan-2-amine
CID 106887323
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708742
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine (CID 106888255) is N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cnccc2C(F)(F)F)o1.
What is the InChIKey of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is UBLGYCLDOKXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)19-7-10-3-4-13(20-10)11-8-18-6-5-12(11)14(15,16)17/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).