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4-methoxy-N-(2-methylpropyl)-3-(trifluoromethyl)aniline

4-methoxy-N-(2-methylpropyl)-3-(trifluoromethyl)aniline

CAS: 1397197-56-6

Formula: C12H16F3NO

SMILES: COC1=C(C=C(NCC(C)C)C=C1)C(F)(F)F

IUPAC: 4-methoxy-N-(2-methylpropyl)-3-(trifluoromethyl)aniline

InChI: InChI=1S/C12H16F3NO/c1-8(2)7-16-9-4-5-11(17-3)10(6-9)12(13,14)15/h4-6,8,16H,7H2,1-3H3

Composition: C (58.29%), H (6.52%), F (23.05%), N (5.66%), O (6.47%)

Molar Mass: 247.261

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.118398628
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VBTRBIVALRVZCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.43
Topological Polar Surface Area 21.26
Polarizability 22.43
Ring Count 1
Rotatable Bond Count 5

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