N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline

C16H21FN2S — CID 61437397

IUPACN-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1cc(F)ccc1N(CC)Cc1cccs1
InChIInChI=1S/C16H21FN2S/c1-3-18-11-13-10-14(17)7-8-16(13)19(4-2)12-15-6-5-9-20-15/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyOCKHIYLYFVGFMK-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline

N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61437397) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID61437397
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1cc(F)ccc1N(CC)Cc1cccs1
InChIInChI=1S/C16H21FN2S/c1-3-18-11-13-10-14(17)7-8-16(13)19(4-2)12-15-6-5-9-20-15/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyOCKHIYLYFVGFMK-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749
4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 114849046
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 61437397) is N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline is CCNCc1cc(F)ccc1N(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is OCKHIYLYFVGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-18-11-13-10-14(17)7-8-16(13)19(4-2)12-15-6-5-9-20-15/h5-10,18H,3-4,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 292.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61437397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).