N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C14H15F3N2OS — CID 65379559

IUPACN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)20-11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-21-12/h1-7,13,19H,8-9,18H2
InChIKeyJDQUTASCRLGHOV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.44
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 65379559) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID65379559
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)20-11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-21-12/h1-7,13,19H,8-9,18H2
InChIKeyJDQUTASCRLGHOV-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 65379559) is N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is NCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is JDQUTASCRLGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c15-14(16,17)20-11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-21-12/h1-7,13,19H,8-9,18H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65379559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).