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

C13H15FN2O — CID 106887993

IUPACN-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccncc1F
InChIInChI=1S/C13H15FN2O/c1-9(2)16-8-13-11(4-6-17-13)10-3-5-15-7-12(10)14/h3-7,9,16H,8H2,1-2H3
InChIKeyMRVZTKHNSBJBNV-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.98
Rot. Bonds4

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

N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106887993) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106887993
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccncc1F
InChIInChI=1S/C13H15FN2O/c1-9(2)16-8-13-11(4-6-17-13)10-3-5-15-7-12(10)14/h3-7,9,16H,8H2,1-2H3
InChIKeyMRVZTKHNSBJBNV-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289722
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
CID 106887474
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine (CID 106887993) is N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1ccncc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is MRVZTKHNSBJBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(2)16-8-13-11(4-6-17-13)10-3-5-15-7-12(10)14/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 234.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106887993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).