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

C14H17FN2O — CID 62428968

IUPACN-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1ccoc1CN)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-11-7-8-18-14(11)9-16/h3-8H,2,9-10,16H2,1H3
InChIKeyLYSQRVJBYNUQNW-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.90
Rot. Bonds5

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

N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline (PubChem CID 62428968) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline
PubChem CID62428968
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1ccoc1CN)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-11-7-8-18-14(11)9-16/h3-8H,2,9-10,16H2,1H3
InChIKeyLYSQRVJBYNUQNW-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-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline
CID 62431448
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
CID 62424402
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethylpropan-2-amine
CID 62419344
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-fluoroaniline
CID 62019121
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline
CID 62430374
N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
CID 62423302
N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
CID 62426756
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline (CID 62428968) is N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1ccoc1CN)c1ccccc1F.
What is the InChIKey of N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is LYSQRVJBYNUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(13-6-4-3-5-12(13)15)10-11-7-8-18-14(11)9-16/h3-8H,2,9-10,16H2,1H3.
What are the key properties of N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline?
N-[[2-(aminomethyl)furan-3-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-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 62428968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).