4-{[(furan-2-ylmethyl)amino]methyl}-2,6-dimethoxyphenol hydrochloride

4-{[(furan-2-ylmethyl)amino]methyl}-2,6-dimethoxyphenol hydrochloride

CAS: 1135231-29-6

Formula: C14H18ClNO4

SMILES: Cl.COC1=CC(CNCC2=CC=CO2)=CC(OC)=C1O

IUPAC: 4-({[(furan-2-yl)methyl]amino}methyl)-2,6-dimethoxyphenol hydrochloride

InChI: InChI=1S/C14H17NO4.ClH/c1-17-12-6-10(7-13(18-2)14(12)16)8-15-9-11-4-3-5-19-11;/h3-7,15-16H,8-9H2,1-2H3;1H

Composition: C (56.10%), H (6.05%), Cl (11.83%), N (4.67%), O (21.35%)

Molar Mass: 299.75

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.0924358
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XZHBUKWARGCBRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.22
Topological Polar Surface Area	63.86
Polarizability	27.64
Ring Count	2
Rotatable Bond Count	6

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