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[(2-chlorophenyl)methyl][2-(2,5-dimethylphenoxy)ethyl]amine

[(2-chlorophenyl)methyl][2-(2,5-dimethylphenoxy)ethyl]amine

CAS: 1040684-29-4

Formula: C17H20ClNO

SMILES: CC1=CC(OCCNCC2=C(Cl)C=CC=C2)=C(C)C=C1

IUPAC: [(2-chlorophenyl)methyl][2-(2,5-dimethylphenoxy)ethyl]amine

InChI: InChI=1S/C17H20ClNO/c1-13-7-8-14(2)17(11-13)20-10-9-19-12-15-5-3-4-6-16(15)18/h3-8,11,19H,9-10,12H2,1-2H3

Composition: C (70.46%), H (6.96%), Cl (12.23%), N (4.83%), O (5.52%)

Molar Mass: 289.8

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.123342
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ILPNVCUZQOLYNW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.75
Topological Polar Surface Area 21.26
Polarizability 33.05
Ring Count 2
Rotatable Bond Count 6

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95% <2 Days 1040684-29-4 $212.83$212.83
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