N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine

C19H20ClN — CID 60816001

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCC3Cc4ccccc43)C2)cc1
InChIInChI=1S/C19H20ClN/c20-17-7-5-13(6-8-17)15-10-18(11-15)21-12-16-9-14-3-1-2-4-19(14)16/h1-8,15-16,18,21H,9-12H2
InChIKeyWKQOOWCGMDJTTB-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.52
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine (PubChem CID 60816001) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
PubChem CID60816001
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCC3Cc4ccccc43)C2)cc1
InChIInChI=1S/C19H20ClN/c20-17-7-5-13(6-8-17)15-10-18(11-15)21-12-16-9-14-3-1-2-4-19(14)16/h1-8,15-16,18,21H,9-12H2
InChIKeyWKQOOWCGMDJTTB-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine (CID 60816001) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine is Clc1ccc(C2CC(NCC3Cc4ccccc43)C2)cc1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine?
The InChIKey is WKQOOWCGMDJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN/c20-17-7-5-13(6-8-17)15-10-18(11-15)21-12-16-9-14-3-1-2-4-19(14)16/h1-8,15-16,18,21H,9-12H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 60816001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).