2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine

C19H18F3N3S — CID 23286899

IUPAC2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2cscc2CNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3S/c20-19(21,22)14-3-1-12(2-4-14)8-25-9-13-10-26-11-17(13)16-7-15(23)5-6-18(16)24/h1-7,10-11,25H,8-9,23-24H2
InChIKeyMMOGFTSEMVWYOT-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.89
Rot. Bonds5

About 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine

2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine (PubChem CID 23286899) has the molecular formula C19H18F3N3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
PubChem CID23286899
Molecular FormulaC19H18F3N3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2cscc2CNCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3S/c20-19(21,22)14-3-1-12(2-4-14)8-25-9-13-10-26-11-17(13)16-7-15(23)5-6-18(16)24/h1-7,10-11,25H,8-9,23-24H2
InChIKeyMMOGFTSEMVWYOT-UHFFFAOYSA-N
XLogP4.89
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(3-fluorophenyl)methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
CID 23286918
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2,2-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methyl]ethanamine
CID 114749096
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine?
The IUPAC name of 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine (CID 23286899) is 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine?
The canonical SMILES for 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine is Nc1ccc(N)c(-c2cscc2CNCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine?
The InChIKey is MMOGFTSEMVWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3S/c20-19(21,22)14-3-1-12(2-4-14)8-25-9-13-10-26-11-17(13)16-7-15(23)5-6-18(16)24/h1-7,10-11,25H,8-9,23-24H2.
What are the key properties of 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine?
2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine has a molecular weight of 377.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 23286899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).