1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine

C14H15F3N2S — CID 61474884

IUPAC1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H15F3N2S/c1-9(6-10-4-5-20-8-10)19-13-3-2-11(7-12(13)18)14(15,16)17/h2-5,7-9,19H,6,18H2,1H3
InChIKeySBHCAKBIXOMIGZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.39
Rot. Bonds4

About 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 61474884) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID61474884
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H15F3N2S/c1-9(6-10-4-5-20-8-10)19-13-3-2-11(7-12(13)18)14(15,16)17/h2-5,7-9,19H,6,18H2,1H3
InChIKeySBHCAKBIXOMIGZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
4-(trifluoromethyl)-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142987
2-(difluoromethyl)-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63736320
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43524031
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 61474884) is 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is CC(Cc1ccsc1)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is SBHCAKBIXOMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-9(6-10-4-5-20-8-10)19-13-3-2-11(7-12(13)18)14(15,16)17/h2-5,7-9,19H,6,18H2,1H3.
What are the key properties of 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 300.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 61474884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).