N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine

C25H31N — CID 166703345

IUPACN-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine
SMILESCC(C)(C)CC(C)(C)Cc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H31N/c1-24(2,3)18-25(4,5)17-19-13-15-21(16-14-19)26-23-12-8-10-20-9-6-7-11-22(20)23/h6-16,26H,17-18H2,1-5H3
InChIKeyMZYXBHUIHCFLHB-UHFFFAOYSA-N
MW345.53 g/mol
LogP7.59
Rot. Bonds5

About N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine

N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine (PubChem CID 166703345) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine
PubChem CID166703345
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC NameN-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine
SMILESCC(C)(C)CC(C)(C)Cc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H31N/c1-24(2,3)18-25(4,5)17-19-13-15-21(16-14-19)26-23-12-8-10-20-9-6-7-11-22(20)23/h6-16,26H,17-18H2,1-5H3
InChIKeyMZYXBHUIHCFLHB-UHFFFAOYSA-N
XLogP7.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-(2,2,4,4-tetramethylpentyl)phenyl]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-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine (CID 166703345) is N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine is CC(C)(C)CC(C)(C)Cc1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine?
The InChIKey is MZYXBHUIHCFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N/c1-24(2,3)18-25(4,5)17-19-13-15-21(16-14-19)26-23-12-8-10-20-9-6-7-11-22(20)23/h6-16,26H,17-18H2,1-5H3.
What are the key properties of N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine?
N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine has a molecular weight of 345.53 g/mol, XLogP of 7.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,4,4-tetramethylpentyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 166703345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).