2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline

C15H15ClF3NS — CID 63418127

IUPAC2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCCc1ccc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C15H15ClF3NS/c1-3-11-5-7-14(21-11)9(2)20-13-8-10(15(17,18)19)4-6-12(13)16/h4-9,20H,3H2,1-2H3
InChIKeyMKVNZMYGOBJEGS-UHFFFAOYSA-N
MW333.81 g/mol
LogP6.16
Rot. Bonds4

About 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline

2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 63418127) has the molecular formula C15H15ClF3NS and a molecular weight of 333.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
PubChem CID63418127
Molecular FormulaC15H15ClF3NS
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCCc1ccc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C15H15ClF3NS/c1-3-11-5-7-14(21-11)9(2)20-13-8-10(15(17,18)19)4-6-12(13)16/h4-9,20H,3H2,1-2H3
InChIKeyMKVNZMYGOBJEGS-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.81
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 83078059
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43093249
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
5-[1-(5-ethylthiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid
CID 61335529
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838
(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 10268969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline (CID 63418127) is 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline is CCc1ccc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is MKVNZMYGOBJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NS/c1-3-11-5-7-14(21-11)9(2)20-13-8-10(15(17,18)19)4-6-12(13)16/h4-9,20H,3H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline?
2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 333.81 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63418127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).