N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

C13H19FN2 — CID 102819482

IUPACN-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCCN(C[C@@H]1CCCN1)c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-2-16(10-11-6-5-9-15-11)13-8-4-3-7-12(13)14/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGXMZUZBJBJLJSA-NSHDSACASA-N
MW222.31 g/mol
LogP2.40
Rot. Bonds4

About N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (PubChem CID 102819482) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
PubChem CID102819482
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCCN(C[C@@H]1CCCN1)c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-2-16(10-11-6-5-9-15-11)13-8-4-3-7-12(13)14/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGXMZUZBJBJLJSA-NSHDSACASA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741025
5-[(N-ethyl-2-fluoroanilino)methyl]pyrrolidin-3-ol
CID 66056957
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
5-chloro-N-ethyl-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (CID 102819482) is N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is CCN(C[C@@H]1CCCN1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The InChIKey is GXMZUZBJBJLJSA-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-16(10-11-6-5-9-15-11)13-8-4-3-7-12(13)14/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline has a molecular weight of 222.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 102819482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).