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1-[1-(2,4-dichlorophenyl)cyclobutyl]methanamine

1-[1-(2,4-dichlorophenyl)cyclobutyl]methanamine

CAS: 1017479-81-0

Formula: C11H13Cl2N

SMILES: NCC1(CCC1)C1=CC=C(Cl)C=C1Cl

IUPAC: 1-[1-(2,4-dichlorophenyl)cyclobutyl]methanamine

InChI: InChI=1S/C11H13Cl2N/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2

Composition: C (57.41%), H (5.69%), Cl (30.81%), N (6.09%)

Molar Mass: 230.13

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.0425048
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey LBXMYRJMXLLTAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.56
Topological Polar Surface Area 26.02
Polarizability 23.99
Ring Count 2
Rotatable Bond Count 2

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