N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C14H14BrF3N2O — CID 106858910

IUPACN-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)c1ccoc1Br
InChIInChI=1S/C14H14BrF3N2O/c1-2-5-20-12(9-4-7-21-13(9)15)10-8-19-6-3-11(10)14(16,17)18/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyMUNHFOVGAXIKEQ-UHFFFAOYSA-N
MW363.18 g/mol
LogP4.54
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 106858910) has the molecular formula C14H14BrF3N2O and a molecular weight of 363.18 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID106858910
Molecular FormulaC14H14BrF3N2O
Molecular Weight363.18 g/mol
Exact Mass362.02
IUPAC NameN-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)c1ccoc1Br
InChIInChI=1S/C14H14BrF3N2O/c1-2-5-20-12(9-4-7-21-13(9)15)10-8-19-6-3-11(10)14(16,17)18/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyMUNHFOVGAXIKEQ-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-bromofuran-3-yl)methyl]propan-1-amine
CID 106858618
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 106851874
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 106858306
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106858842
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 106858910) is N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CCCNC(c1cnccc1C(F)(F)F)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MUNHFOVGAXIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O/c1-2-5-20-12(9-4-7-21-13(9)15)10-8-19-6-3-11(10)14(16,17)18/h3-4,6-8,12,20H,2,5H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 363.18 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106858910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).