N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine

C30H34N2OS — CID 21019335

IUPACN-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine
SMILESCCN(CC)CCCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccsc3)cc2)cc1
InChIInChI=1S/C30H34N2OS/c1-4-31(5-2)20-6-21-33-30-17-11-26(12-18-30)25-9-15-28(16-10-25)32(29-19-22-34-23-29)27-13-7-24(3)8-14-27/h7-19,22-23H,4-6,20-21H2,1-3H3
InChIKeyYHUYALBFGGNAEM-UHFFFAOYSA-N
MW470.68 g/mol
LogP8.30
Rot. Bonds11

About N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine

N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine (PubChem CID 21019335) has the molecular formula C30H34N2OS and a molecular weight of 470.68 g/mol. Its IUPAC name is N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine
PubChem CID21019335
Molecular FormulaC30H34N2OS
Molecular Weight470.68 g/mol
Exact Mass470.24
IUPAC NameN-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine
SMILESCCN(CC)CCCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccsc3)cc2)cc1
InChIInChI=1S/C30H34N2OS/c1-4-31(5-2)20-6-21-33-30-17-11-26(12-18-30)25-9-15-28(16-10-25)32(29-19-22-34-23-29)27-13-7-24(3)8-14-27/h7-19,22-23H,4-6,20-21H2,1-3H3
InChIKeyYHUYALBFGGNAEM-UHFFFAOYSA-N
XLogP8.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine?
The IUPAC name of N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine (CID 21019335) is N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine.
What is the SMILES notation for N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine?
The canonical SMILES for N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine is CCN(CC)CCCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccsc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine?
The InChIKey is YHUYALBFGGNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2OS/c1-4-31(5-2)20-6-21-33-30-17-11-26(12-18-30)25-9-15-28(16-10-25)32(29-19-22-34-23-29)27-13-7-24(3)8-14-27/h7-19,22-23H,4-6,20-21H2,1-3H3.
What are the key properties of N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine?
N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine has a molecular weight of 470.68 g/mol, XLogP of 8.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine is sourced from PubChem (CID 21019335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).