3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline

C14H17FN2S — CID 102813648

IUPAC3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1cc(F)cc(CN)c1
InChIInChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3
InChIKeyCKBFSTMGFDKBGD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline

3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 102813648) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID102813648
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1cc(F)cc(CN)c1
InChIInChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3
InChIKeyCKBFSTMGFDKBGD-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 102813648) is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline is CCN(Cc1cccs1)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is CKBFSTMGFDKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)13-7-11(9-16)6-12(15)8-13/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 102813648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).