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N-(4-tert-butylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

N-(4-tert-butylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

CAS: 1438401-13-8

Formula: C22H21NO

SMILES: CC(C)(C)C1=CC=C(NC2=CC=CC3=C2OC2=C3C=CC=C2)C=C1

IUPAC: N-(4-tert-butylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

InChI: InChI=1S/C22H21NO/c1-22(2,3)15-11-13-16(14-12-15)23-19-9-6-8-18-17-7-4-5-10-20(17)24-21(18)19/h4-14,23H,1-3H3

Composition: C (83.78%), H (6.71%), N (4.44%), O (5.07%)

Molar Mass: 315.416

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 315.1623143
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BEFIQNFPVBYFLK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.38
Topological Polar Surface Area 25.17
Polarizability 40.45
Ring Count 4
Rotatable Bond Count 3

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