1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

C13H16N2S — CID 117041417

IUPAC1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2cccs2)cc1
InChIInChI=1S/C13H16N2S/c1-14-11-5-7-12(8-6-11)15(2)10-13-4-3-9-16-13/h3-9,14H,10H2,1-2H3
InChIKeySILNAHKHVLPHIF-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.43
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (PubChem CID 117041417) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
PubChem CID117041417
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)Cc2cccs2)cc1
InChIInChI=1S/C13H16N2S/c1-14-11-5-7-12(8-6-11)15(2)10-13-4-3-9-16-13/h3-9,14H,10H2,1-2H3
InChIKeySILNAHKHVLPHIF-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104532945
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
4-(bromomethyl)-N,3-dimethyl-N-(thiophen-2-ylmethyl)aniline
CID 107080215
1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
CID 155951487
2-chloro-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 62945920
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448
1-ethyl-2-methyl-1-(thiophen-2-ylmethyl)hydrazine
CID 144592407
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (CID 117041417) is 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is CNc1ccc(N(C)Cc2cccs2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is SILNAHKHVLPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-14-11-5-7-12(8-6-11)15(2)10-13-4-3-9-16-13/h3-9,14H,10H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 232.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 117041417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).