1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine

C26H28N2 — CID 175057445

IUPAC1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1-c1c(N)c(-c3ccccc3)cc3c1CCCC3)CCCC2
InChIInChI=1S/C26H28N2/c27-23-15-14-18-10-4-6-12-20(18)24(23)25-21-13-7-5-11-19(21)16-22(26(25)28)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13,27-28H2
InChIKeyWKPDAJAGHFCXIU-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.94
Rot. Bonds2

About 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine

1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 175057445) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID175057445
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1-c1c(N)c(-c3ccccc3)cc3c1CCCC3)CCCC2
InChIInChI=1S/C26H28N2/c27-23-15-14-18-10-4-6-12-20(18)24(23)25-21-13-7-5-11-19(21)16-22(26(25)28)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13,27-28H2
InChIKeyWKPDAJAGHFCXIU-UHFFFAOYSA-N
XLogP5.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-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 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 175057445) is 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine is Nc1ccc2c(c1-c1c(N)c(-c3ccccc3)cc3c1CCCC3)CCCC2.
What is the InChIKey of 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is WKPDAJAGHFCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c27-23-15-14-18-10-4-6-12-20(18)24(23)25-21-13-7-5-11-19(21)16-22(26(25)28)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13,27-28H2.
What are the key properties of 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine?
1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 368.52 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 175057445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).