N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine

C20H23N — CID 145235503

IUPACN-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C20H23N/c1-20(2,3)17-9-12-18(13-10-17)21-19-11-8-15-6-4-5-7-16(15)14-19/h5,7-14,21H,4,6H2,1-3H3
InChIKeyQUECWCKMIWFRAO-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.69
Rot. Bonds2

About N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine

N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine (PubChem CID 145235503) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine
PubChem CID145235503
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C20H23N/c1-20(2,3)17-9-12-18(13-10-17)21-19-11-8-15-6-4-5-7-16(15)14-19/h5,7-14,21H,4,6H2,1-3H3
InChIKeyQUECWCKMIWFRAO-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-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-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine (CID 145235503) is N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine is CC(C)(C)c1ccc(Nc2ccc3c(c2)C=CCC3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine?
The InChIKey is QUECWCKMIWFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-20(2,3)17-9-12-18(13-10-17)21-19-11-8-15-6-4-5-7-16(15)14-19/h5,7-14,21H,4,6H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine?
N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine has a molecular weight of 277.41 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5,6-dihydronaphthalen-2-amine is sourced from PubChem (CID 145235503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).