N-[(4-aminophenyl)methyl]thiophen-2-amine

C11H12N2S — CID 115212336

IUPACN-[(4-aminophenyl)methyl]thiophen-2-amine
SMILESNc1ccc(CNc2cccs2)cc1
InChIInChI=1S/C11H12N2S/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-11/h1-7,13H,8,12H2
InChIKeyHCDSFEUINIZANI-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.94
Rot. Bonds3

About N-[(4-aminophenyl)methyl]thiophen-2-amine

N-[(4-aminophenyl)methyl]thiophen-2-amine (PubChem CID 115212336) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]thiophen-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]thiophen-2-amine
PubChem CID115212336
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC NameN-[(4-aminophenyl)methyl]thiophen-2-amine
SMILESNc1ccc(CNc2cccs2)cc1
InChIInChI=1S/C11H12N2S/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-11/h1-7,13H,8,12H2
InChIKeyHCDSFEUINIZANI-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]thiophen-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]thiophen-2-amine (CID 115212336) is N-[(4-aminophenyl)methyl]thiophen-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]thiophen-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]thiophen-2-amine is Nc1ccc(CNc2cccs2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]thiophen-2-amine?
The InChIKey is HCDSFEUINIZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-11/h1-7,13H,8,12H2.
What are the key properties of N-[(4-aminophenyl)methyl]thiophen-2-amine?
N-[(4-aminophenyl)methyl]thiophen-2-amine has a molecular weight of 204.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]thiophen-2-amine is sourced from PubChem (CID 115212336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).