3-butoxy-N-{[4-(2-ethoxyethoxy)phenyl]methyl}aniline

3-butoxy-N-{[4-(2-ethoxyethoxy)phenyl]methyl}aniline

CAS: 1040683-47-3

Formula: C21H29NO3

SMILES: CCCCOC1=CC=CC(NCC2=CC=C(OCCOCC)C=C2)=C1

IUPAC: 3-butoxy-N-{[4-(2-ethoxyethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C21H29NO3/c1-3-5-13-24-21-8-6-7-19(16-21)22-17-18-9-11-20(12-10-18)25-15-14-23-4-2/h6-12,16,22H,3-5,13-15,17H2,1-2H3

Composition: C (73.44%), H (8.51%), N (4.08%), O (13.97%)

Molar Mass: 343.467

Atom Count: 54

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	343.214743798
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GPQDGHSJYRHLAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.46
Topological Polar Surface Area	39.72
Polarizability	39.69
Ring Count	2
Rotatable Bond Count	12

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