N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine

C15H13NS2 — CID 66353192

IUPACN-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine
SMILESc1ccc(-c2csc(CNc3ccsc3)c2)cc1
InChIInChI=1S/C15H13NS2/c1-2-4-12(5-3-1)13-8-15(18-10-13)9-16-14-6-7-17-11-14/h1-8,10-11,16H,9H2
InChIKeyRBXAELSUCYTQQL-UHFFFAOYSA-N
MW271.41 g/mol
LogP5.09
Rot. Bonds4

About N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine

N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine (PubChem CID 66353192) has the molecular formula C15H13NS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine
PubChem CID66353192
Molecular FormulaC15H13NS2
Molecular Weight271.41 g/mol
Exact Mass271.05
IUPAC NameN-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine
SMILESc1ccc(-c2csc(CNc3ccsc3)c2)cc1
InChIInChI=1S/C15H13NS2/c1-2-4-12(5-3-1)13-8-15(18-10-13)9-16-14-6-7-17-11-14/h1-8,10-11,16H,9H2
InChIKeyRBXAELSUCYTQQL-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019201
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
CID 61017248
4-bromo-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63419066
5-bromo-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63445697
5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63422974
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 115639875
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423
N-[(5-phenyl-2H-triazol-4-yl)methyl]thiophen-3-amine
CID 66351237
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine (CID 66353192) is N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine is c1ccc(-c2csc(CNc3ccsc3)c2)cc1.
What is the InChIKey of N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine?
The InChIKey is RBXAELSUCYTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS2/c1-2-4-12(5-3-1)13-8-15(18-10-13)9-16-14-6-7-17-11-14/h1-8,10-11,16H,9H2.
What are the key properties of N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine?
N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine has a molecular weight of 271.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 66353192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).