N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine

C23H21NS — CID 90348309

IUPACN-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine
SMILESCc1ccc(Nc2ccc(C(C)c3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C23H21NS/c1-16-7-9-19(10-8-16)24-23-12-11-20(17(2)18-13-14-25-15-18)21-5-3-4-6-22(21)23/h3-15,17,24H,1-2H3
InChIKeyMASONZQYTRETJW-UHFFFAOYSA-N
MW343.50 g/mol
LogP7.11
Rot. Bonds4

About N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine

N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine (PubChem CID 90348309) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine
PubChem CID90348309
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC NameN-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine
SMILESCc1ccc(Nc2ccc(C(C)c3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C23H21NS/c1-16-7-9-19(10-8-16)24-23-12-11-20(17(2)18-13-14-25-15-18)21-5-3-4-6-22(21)23/h3-15,17,24H,1-2H3
InChIKeyMASONZQYTRETJW-UHFFFAOYSA-N
XLogP7.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine?
The IUPAC name of N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine (CID 90348309) is N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine?
The canonical SMILES for N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine is Cc1ccc(Nc2ccc(C(C)c3ccsc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine?
The InChIKey is MASONZQYTRETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NS/c1-16-7-9-19(10-8-16)24-23-12-11-20(17(2)18-13-14-25-15-18)21-5-3-4-6-22(21)23/h3-15,17,24H,1-2H3.
What are the key properties of N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine?
N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine has a molecular weight of 343.50 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine is sourced from PubChem (CID 90348309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).