[2-(3,4-dimethoxyphenyl)ethyl][(5-methylfuran-2-yl)methyl]amine

[2-(3,4-dimethoxyphenyl)ethyl][(5-methylfuran-2-yl)methyl]amine

CAS: 626216-00-0

Formula: C16H21NO3

SMILES: COC1=C(OC)C=C(CCNCC2=CC=C(C)O2)C=C1

IUPAC: [2-(3,4-dimethoxyphenyl)ethyl][(5-methylfuran-2-yl)methyl]amine

InChI: InChI=1S/C16H21NO3/c1-12-4-6-14(20-12)11-17-9-8-13-5-7-15(18-2)16(10-13)19-3/h4-7,10,17H,8-9,11H2,1-3H3

Composition: C (69.79%), H (7.69%), N (5.09%), O (17.43%)

Molar Mass: 275.348

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.15214354
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WUBZVWLDMUDMRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.14
Topological Polar Surface Area	43.63
Polarizability	30.56
Ring Count	2
Rotatable Bond Count	7

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