2-[(4-butylanilino)methyl]thiophen-3-amine

C15H20N2S — CID 66387516

IUPAC2-[(4-butylanilino)methyl]thiophen-3-amine
SMILESCCCCc1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C15H20N2S/c1-2-3-4-12-5-7-13(8-6-12)17-11-15-14(16)9-10-18-15/h5-10,17H,2-4,11,16H2,1H3
InChIKeyHHJNUUOJHYDPBP-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.28
Rot. Bonds6

About 2-[(4-butylanilino)methyl]thiophen-3-amine

2-[(4-butylanilino)methyl]thiophen-3-amine (PubChem CID 66387516) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(4-butylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-butylanilino)methyl]thiophen-3-amine
PubChem CID66387516
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[(4-butylanilino)methyl]thiophen-3-amine
SMILESCCCCc1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C15H20N2S/c1-2-3-4-12-5-7-13(8-6-12)17-11-15-14(16)9-10-18-15/h5-10,17H,2-4,11,16H2,1H3
InChIKeyHHJNUUOJHYDPBP-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
CID 66387714
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
4-[(3-aminothiophen-2-yl)methylamino]benzoic acid
CID 66387122
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386529
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-butylanilino)methyl]thiophen-3-amine (CID 66387516) is 2-[(4-butylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-butylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-butylanilino)methyl]thiophen-3-amine is CCCCc1ccc(NCc2sccc2N)cc1.
What is the InChIKey of 2-[(4-butylanilino)methyl]thiophen-3-amine?
The InChIKey is HHJNUUOJHYDPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-3-4-12-5-7-13(8-6-12)17-11-15-14(16)9-10-18-15/h5-10,17H,2-4,11,16H2,1H3.
What are the key properties of 2-[(4-butylanilino)methyl]thiophen-3-amine?
2-[(4-butylanilino)methyl]thiophen-3-amine has a molecular weight of 260.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).