2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine

C14H18N2S — CID 66386115

IUPAC2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
SMILESCC(C)c1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H18N2S/c1-10(2)11-4-3-5-12(8-11)16-9-14-13(15)6-7-17-14/h3-8,10,16H,9,15H2,1-2H3
InChIKeyDZKPJVOJLMQDFN-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.07
Rot. Bonds4

About 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine

2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine (PubChem CID 66386115) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
PubChem CID66386115
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
SMILESCC(C)c1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H18N2S/c1-10(2)11-4-3-5-12(8-11)16-9-14-13(15)6-7-17-14/h3-8,10,16H,9,15H2,1-2H3
InChIKeyDZKPJVOJLMQDFN-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
CID 66385138
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
CID 66385340
2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386529
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine (CID 66386115) is 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine is CC(C)c1cccc(NCc2sccc2N)c1.
What is the InChIKey of 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine?
The InChIKey is DZKPJVOJLMQDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)11-4-3-5-12(8-11)16-9-14-13(15)6-7-17-14/h3-8,10,16H,9,15H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine?
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine has a molecular weight of 246.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).