2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline

C15H19FN2O — CID 63369519

IUPAC2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C15H19FN2O/c1-3-18(10-12-6-5-9-19-12)14-8-4-7-13(16)15(14)11(2)17/h4-9,11H,3,10,17H2,1-2H3/t11-/m1/s1
InChIKeyVUPDVSRNDHSWIR-LLVKDONJSA-N
MW262.33 g/mol
LogP3.46
Rot. Bonds5

About 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline

2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline (PubChem CID 63369519) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
PubChem CID63369519
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C15H19FN2O/c1-3-18(10-12-6-5-9-19-12)14-8-4-7-13(16)15(14)11(2)17/h4-9,11H,3,10,17H2,1-2H3/t11-/m1/s1
InChIKeyVUPDVSRNDHSWIR-LLVKDONJSA-N
XLogP3.46
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
CID 43188702
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634
6-(1-aminopropyl)-N-ethyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 112584265
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 63786304
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline (CID 63369519) is 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline is CCN(Cc1ccco1)c1cccc(F)c1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline?
The InChIKey is VUPDVSRNDHSWIR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-18(10-12-6-5-9-19-12)14-8-4-7-13(16)15(14)11(2)17/h4-9,11H,3,10,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline?
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline has a molecular weight of 262.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 63369519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).