3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline

C14H17FN2O — CID 112646008

IUPAC3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)Cc1ccco1
InChIInChI=1S/C14H17FN2O/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3
InChIKeyNYPGXMBJZHCEDM-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.02
Rot. Bonds5

About 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline

3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline (PubChem CID 112646008) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
PubChem CID112646008
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)Cc1ccco1
InChIInChI=1S/C14H17FN2O/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3
InChIKeyNYPGXMBJZHCEDM-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
2-[[(3,5-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 105404018
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
CID 112646222
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
CID 103749274
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The IUPAC name of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline (CID 112646008) is 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline.
What is the SMILES notation for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The canonical SMILES for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline is CCN(Cc1cc(N)cc(F)c1)Cc1ccco1.
What is the InChIKey of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The InChIKey is NYPGXMBJZHCEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline?
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline has a molecular weight of 248.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline is sourced from PubChem (CID 112646008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).