2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine

C14H19N3S — CID 66385340

IUPAC2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
SMILESCN(C)Cc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H19N3S/c1-17(2)10-11-4-3-5-12(8-11)16-9-14-13(15)6-7-18-14/h3-8,16H,9-10,15H2,1-2H3
InChIKeyKOLAQVMMLXVHPS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.00
Rot. Bonds5

About 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine

2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine (PubChem CID 66385340) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
PubChem CID66385340
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine
SMILESCN(C)Cc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H19N3S/c1-17(2)10-11-4-3-5-12(8-11)16-9-14-13(15)6-7-18-14/h3-8,16H,9-10,15H2,1-2H3
InChIKeyKOLAQVMMLXVHPS-UHFFFAOYSA-N
XLogP3.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386529
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329226
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
N-[(3-aminothiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 66385101
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine (CID 66385340) is 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine is CN(C)Cc1cccc(NCc2sccc2N)c1.
What is the InChIKey of 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine?
The InChIKey is KOLAQVMMLXVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(2)10-11-4-3-5-12(8-11)16-9-14-13(15)6-7-18-14/h3-8,16H,9-10,15H2,1-2H3.
What are the key properties of 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine?
2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine has a molecular weight of 261.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).