1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine

C14H15F3N2S — CID 71845506

IUPAC1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCN(C)c1ccc(C(F)(F)F)cc1NCc1ccsc1
InChIInChI=1S/C14H15F3N2S/c1-19(2)13-4-3-11(14(15,16)17)7-12(13)18-8-10-5-6-20-9-10/h3-7,9,18H,8H2,1-2H3
InChIKeyNOLIDEZCMBAZHX-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.45
Rot. Bonds4

About 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 71845506) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID71845506
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCN(C)c1ccc(C(F)(F)F)cc1NCc1ccsc1
InChIInChI=1S/C14H15F3N2S/c1-19(2)13-4-3-11(14(15,16)17)7-12(13)18-8-10-5-6-20-9-10/h3-7,9,18H,8H2,1-2H3
InChIKeyNOLIDEZCMBAZHX-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 58907097
2-N-[[4-(dimethylamino)phenyl]methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 139917499
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61474884
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 133358533
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111940767
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 71845506) is 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine is CN(C)c1ccc(C(F)(F)F)cc1NCc1ccsc1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is NOLIDEZCMBAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-19(2)13-4-3-11(14(15,16)17)7-12(13)18-8-10-5-6-20-9-10/h3-7,9,18H,8H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 300.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 71845506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).