4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline

C17H23FN2O — CID 62436050

IUPAC4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2ccc(F)cc2)oc1C
InChIInChI=1S/C17H23FN2O/c1-4-9-19-11-14-10-17(21-13(14)2)12-20(3)16-7-5-15(18)6-8-16/h5-8,10,19H,4,9,11-12H2,1-3H3
InChIKeyQIMFYBMQUUZDTI-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.86
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline

4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62436050) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62436050
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2ccc(F)cc2)oc1C
InChIInChI=1S/C17H23FN2O/c1-4-9-19-11-14-10-17(21-13(14)2)12-20(3)16-7-5-15(18)6-8-16/h5-8,10,19H,4,9,11-12H2,1-3H3
InChIKeyQIMFYBMQUUZDTI-UHFFFAOYSA-N
XLogP3.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436049
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434933
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62431761

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline (CID 62436050) is 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline is CCCNCc1cc(CN(C)c2ccc(F)cc2)oc1C.
What is the InChIKey of 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is QIMFYBMQUUZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-9-19-11-14-10-17(21-13(14)2)12-20(3)16-7-5-15(18)6-8-16/h5-8,10,19H,4,9,11-12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 290.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62436050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).