2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline

C20H22N2S — CID 155558860

IUPAC2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
SMILESCc1ccccc1NCc1ccc(CNc2ccccc2C)s1
InChIInChI=1S/C20H22N2S/c1-15-7-3-5-9-19(15)21-13-17-11-12-18(23-17)14-22-20-10-6-4-8-16(20)2/h3-12,21-22H,13-14H2,1-2H3
InChIKeyBVYKGIGATNQWMQ-UHFFFAOYSA-N
MW322.48 g/mol
LogP5.59
Rot. Bonds6

About 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline

2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline (PubChem CID 155558860) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
PubChem CID155558860
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
SMILESCc1ccccc1NCc1ccc(CNc2ccccc2C)s1
InChIInChI=1S/C20H22N2S/c1-15-7-3-5-9-19(15)21-13-17-11-12-18(23-17)14-22-20-10-6-4-8-16(20)2/h3-12,21-22H,13-14H2,1-2H3
InChIKeyBVYKGIGATNQWMQ-UHFFFAOYSA-N
XLogP5.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline?
The IUPAC name of 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline (CID 155558860) is 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline.
What is the SMILES notation for 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline?
The canonical SMILES for 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline is Cc1ccccc1NCc1ccc(CNc2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline?
The InChIKey is BVYKGIGATNQWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15-7-3-5-9-19(15)21-13-17-11-12-18(23-17)14-22-20-10-6-4-8-16(20)2/h3-12,21-22H,13-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline?
2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline has a molecular weight of 322.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline is sourced from PubChem (CID 155558860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).