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

C14H17FN2O — CID 64770417

IUPAC4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1ccco1)Cc1ccc(N)cc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-5-6-12(16)8-14(11)15/h3-8H,2,9-10,16H2,1H3
InChIKeyNYWUBRGVMXYVMO-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.02
Rot. Bonds5

About 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline (PubChem CID 64770417) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
PubChem CID64770417
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1ccco1)Cc1ccc(N)cc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-5-6-12(16)8-14(11)15/h3-8H,2,9-10,16H2,1H3
InChIKeyNYWUBRGVMXYVMO-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-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
4-[[ethyl(prop-2-ynyl)amino]methyl]-3-fluoroaniline
CID 107796737
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
CID 61423541
3-[[(4-bromo-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 43459143
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline (CID 64770417) is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline.
What is the SMILES notation for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The canonical SMILES for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline is CCN(Cc1ccco1)Cc1ccc(N)cc1F.
What is the InChIKey of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The InChIKey is NYWUBRGVMXYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(10-13-4-3-7-18-13)9-11-5-6-12(16)8-14(11)15/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline?
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-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 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline is sourced from PubChem (CID 64770417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).