N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C20H23N — CID 43632103

IUPACN-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1ccc(C2CC(Nc3cccc4c3CCCC4)C2)cc1
InChIInChI=1S/C20H23N/c1-2-7-15(8-3-1)17-13-18(14-17)21-20-12-6-10-16-9-4-5-11-19(16)20/h1-3,6-8,10,12,17-18,21H,4-5,9,11,13-14H2
InChIKeyZFCULAYSSCZPQK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.92
Rot. Bonds3

About N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43632103) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43632103
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1ccc(C2CC(Nc3cccc4c3CCCC4)C2)cc1
InChIInChI=1S/C20H23N/c1-2-7-15(8-3-1)17-13-18(14-17)21-20-12-6-10-16-9-4-5-11-19(16)20/h1-3,6-8,10,12,17-18,21H,4-5,9,11,13-14H2
InChIKeyZFCULAYSSCZPQK-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43632103) is N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine is c1ccc(C2CC(Nc3cccc4c3CCCC4)C2)cc1.
What is the InChIKey of N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is ZFCULAYSSCZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-7-15(8-3-1)17-13-18(14-17)21-20-12-6-10-16-9-4-5-11-19(16)20/h1-3,6-8,10,12,17-18,21H,4-5,9,11,13-14H2.
What are the key properties of N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylcyclobutyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43632103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).