2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline

C14H17FN2O — CID 63369381

IUPAC2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
SMILESC[C@@H](N)c1cc(F)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H17FN2O/c1-10(16)13-7-12(15)3-4-14(13)17(2)8-11-5-6-18-9-11/h3-7,9-10H,8,16H2,1-2H3/t10-/m1/s1
InChIKeyKTIDHWWQECSGDU-SNVBAGLBSA-N
MW248.30 g/mol
LogP3.07
Rot. Bonds4

About 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline

2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline (PubChem CID 63369381) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
PubChem CID63369381
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
SMILESC[C@@H](N)c1cc(F)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H17FN2O/c1-10(16)13-7-12(15)3-4-14(13)17(2)8-11-5-6-18-9-11/h3-7,9-10H,8,16H2,1-2H3/t10-/m1/s1
InChIKeyKTIDHWWQECSGDU-SNVBAGLBSA-N
XLogP3.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 55020150
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
CID 63368290
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline (CID 63369381) is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline is C[C@@H](N)c1cc(F)ccc1N(C)Cc1ccoc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The InChIKey is KTIDHWWQECSGDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(16)13-7-12(15)3-4-14(13)17(2)8-11-5-6-18-9-11/h3-7,9-10H,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline has a molecular weight of 248.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline is sourced from PubChem (CID 63369381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).