N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline

C16H25FN2 — CID 106976356

IUPACN-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
SMILESCCCC1(CN(CC)c2cccc(F)c2)CCCN1
InChIInChI=1S/C16H25FN2/c1-3-9-16(10-6-11-18-16)13-19(4-2)15-8-5-7-14(17)12-15/h5,7-8,12,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyWQLNPCAULFMCFN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline

N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline (PubChem CID 106976356) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
PubChem CID106976356
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
SMILESCCCC1(CN(CC)c2cccc(F)c2)CCCN1
InChIInChI=1S/C16H25FN2/c1-3-9-16(10-6-11-18-16)13-19(4-2)15-8-5-7-14(17)12-15/h5,7-8,12,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyWQLNPCAULFMCFN-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline
CID 83073883
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
2-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
CID 117271498
N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63495148
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
2,2-dipropylpyrrolidine
CID 13332418
2-[(2,6-difluorophenyl)methyl]-2-propylazepane
CID 114932369
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
2-[(2-chloro-5-fluorophenyl)methyl]-2-propylazepane
CID 102619096
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline (CID 106976356) is N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline is CCCC1(CN(CC)c2cccc(F)c2)CCCN1.
What is the InChIKey of N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is WQLNPCAULFMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-9-16(10-6-11-18-16)13-19(4-2)15-8-5-7-14(17)12-15/h5,7-8,12,18H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline?
N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 264.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 106976356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).