2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline

C17H23FN2O — CID 43526990

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C17H23FN2O/c1-4-9-19-13(2)14-7-8-17(16(18)11-14)20(3)12-15-6-5-10-21-15/h5-8,10-11,13,19H,4,9,12H2,1-3H3
InChIKeyRIWBPBFYJXBDQX-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.12
Rot. Bonds7

About 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline

2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline (PubChem CID 43526990) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
PubChem CID43526990
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C17H23FN2O/c1-4-9-19-13(2)14-7-8-17(16(18)11-14)20(3)12-15-6-5-10-21-15/h5-8,10-11,13,19H,4,9,12H2,1-3H3
InChIKeyRIWBPBFYJXBDQX-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357
2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline (CID 43526990) is 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(C)Cc2ccco2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The InChIKey is RIWBPBFYJXBDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-9-19-13(2)14-7-8-17(16(18)11-14)20(3)12-15-6-5-10-21-15/h5-8,10-11,13,19H,4,9,12H2,1-3H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline has a molecular weight of 290.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 43526990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).