N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline

C14H17FN2O — CID 62431448

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1occc1CN)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3
InChIKeySGNZEJZXMLIVKM-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.90
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline (PubChem CID 62431448) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline
PubChem CID62431448
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1occc1CN)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3
InChIKeySGNZEJZXMLIVKM-UHFFFAOYSA-N
XLogP2.90
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(furan-2-yl)methyl]aniline
CID 57541
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
N-(4-fluorophenyl)-1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815710
3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4803621
N-(furan-2-ylmethyl)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 16293711
4-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24240781
4-({[(furan-2-yl)methyl]amino}methyl)-N,N-dimethylaniline
CID 776373
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
CID 974087
4-(dimethylamino)-N-(2-furylmethyl)benzenecarbothioamide
CID 1519926
3-benzamido-N-(furan-2-ylmethyl)benzamide
CID 2162626
1-(2-Fluorophenyl)-3-[(furan-2-yl)methyl]urea
CID 2242095
N-[3-(3-methylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2571625

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline (CID 62431448) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1occc1CN)c1ccccc1F.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is SGNZEJZXMLIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 248.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 62431448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).