N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H17F3N2S — CID 43528083

IUPACN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2S/c1-20(9-11-5-6-21-10-11)14(8-19)12-3-2-4-13(7-12)15(16,17)18/h2-7,10,14H,8-9,19H2,1H3
InChIKeyLLWXGXGDOURKHB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 43528083) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID43528083
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2S/c1-20(9-11-5-6-21-10-11)14(8-19)12-3-2-4-13(7-12)15(16,17)18/h2-7,10,14H,8-9,19H2,1H3
InChIKeyLLWXGXGDOURKHB-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
N-Methyl-N-(3-thien-2-ylbenzyl)amine
CID 18525772
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-3-yl)acetamide
CID 44413147
N-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 155564060
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 43528083) is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(Cc1ccsc1)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is LLWXGXGDOURKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-20(9-11-5-6-21-10-11)14(8-19)12-3-2-4-13(7-12)15(16,17)18/h2-7,10,14H,8-9,19H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 314.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43528083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).