N-(1H-indol-4-ylmethyl)-3,4,5-trimethoxyaniline

N-(1H-indol-4-ylmethyl)-3,4,5-trimethoxyaniline

CAS: 944896-45-1

Formula: C18H20N2O3

SMILES: COC1=CC(NCC2=C3C=CNC3=CC=C2)=CC(OC)=C1OC

IUPAC: N-[(1H-indol-4-yl)methyl]-3,4,5-trimethoxyaniline

InChI: InChI=1S/C18H20N2O3/c1-21-16-9-13(10-17(22-2)18(16)23-3)20-11-12-5-4-6-15-14(12)7-8-19-15/h4-10,19-20H,11H2,1-3H3

Composition: C (69.21%), H (6.45%), N (8.97%), O (15.37%)

Molar Mass: 312.369

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	312.147392512
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KJERBRJXINBPRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.34
Topological Polar Surface Area	55.51
Polarizability	35.67
Ring Count	3
Rotatable Bond Count	6

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