2-[4-(2-methylbutan-2-yl)phenoxy]-5-(trifluoromethyl)aniline

2-[4-(2-methylbutan-2-yl)phenoxy]-5-(trifluoromethyl)aniline

CAS: 946715-51-1

Formula: C18H20F3NO

SMILES: CCC(C)(C)C1=CC=C(OC2=C(N)C=C(C=C2)C(F)(F)F)C=C1

IUPAC: 2-[4-(2-methylbutan-2-yl)phenoxy]-5-(trifluoromethyl)aniline

InChI: InChI=1S/C18H20F3NO/c1-4-17(2,3)12-5-8-14(9-6-12)23-16-10-7-13(11-15(16)22)18(19,20)21/h5-11H,4,22H2,1-3H3

Composition: C (66.86%), H (6.23%), F (17.63%), N (4.33%), O (4.95%)

Molar Mass: 323.359

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.149698757
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ULNYBZCLTLHZOW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.24
Topological Polar Surface Area	35.25
Polarizability	31.88
Ring Count	2
Rotatable Bond Count	5

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