2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline

C16H21FN2O2 — CID 63060260

IUPAC2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-19(11-14-5-7-21-12-14)16-4-3-13(9-15(16)17)10-18-6-8-20-2/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3
InChIKeyPLVPRHUPXYBVCN-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.79
Rot. Bonds8

About 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline

2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 63060260) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID63060260
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-19(11-14-5-7-21-12-14)16-4-3-13(9-15(16)17)10-18-6-8-20-2/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3
InChIKeyPLVPRHUPXYBVCN-UHFFFAOYSA-N
XLogP2.79
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 81146500
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 63060260) is 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline is COCCNCc1ccc(N(C)Cc2ccoc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is PLVPRHUPXYBVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-19(11-14-5-7-21-12-14)16-4-3-13(9-15(16)17)10-18-6-8-20-2/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3.
What are the key properties of 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 292.35 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63060260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).