4-(3-phenylpropoxy)-3-(trifluoromethyl)aniline

4-(3-phenylpropoxy)-3-(trifluoromethyl)aniline

CAS: 946775-60-6

Formula: C16H16F3NO

SMILES: NC1=CC(=C(OCCCC2=CC=CC=C2)C=C1)C(F)(F)F

IUPAC: 4-(3-phenylpropoxy)-3-(trifluoromethyl)aniline

InChI: InChI=1S/C16H16F3NO/c17-16(18,19)14-11-13(20)8-9-15(14)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,20H2

Composition: C (65.08%), H (5.46%), F (19.30%), N (4.74%), O (5.42%)

Molar Mass: 295.305

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.118398628
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YDMOUGSTYGOBDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.16
Topological Polar Surface Area	35.25
Polarizability	28.18
Ring Count	2
Rotatable Bond Count	6

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