2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile

C14H14N2S — CID 117048848

IUPAC2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C14H14N2S/c1-14(10-15,9-13-3-2-8-17-13)11-4-6-12(16)7-5-11/h2-8H,9,16H2,1H3
InChIKeyNXNRTWBCCQGSOX-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile

2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile (PubChem CID 117048848) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
PubChem CID117048848
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C14H14N2S/c1-14(10-15,9-13-3-2-8-17-13)11-4-6-12(16)7-5-11/h2-8H,9,16H2,1H3
InChIKeyNXNRTWBCCQGSOX-UHFFFAOYSA-N
XLogP3.35
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
CID 117048835
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropanenitrile
CID 82087255
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
ethane;2-[2-methyl-2-(4-prop-1-ynylphenyl)propyl]thiophene
CID 144936144
2,2-dimethyl-3-thiophen-2-ylpropanethioamide
CID 174989051
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
CID 117048617
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile (CID 117048848) is 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile is CC(C#N)(Cc1cccs1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile?
The InChIKey is NXNRTWBCCQGSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-14(10-15,9-13-3-2-8-17-13)11-4-6-12(16)7-5-11/h2-8H,9,16H2,1H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile?
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile has a molecular weight of 242.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 117048848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).