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4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

CAS: 749886-87-1

Formula: C16H20N2

SMILES: CC1=CC=C(NCCCC2=CC=CC=C2)C(N)=C1

IUPAC: 4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

InChI: InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3

Composition: C (79.96%), H (8.39%), N (11.66%)

Molar Mass: 240.35

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.162648652
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YMFNPBSZFWXMAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.96
Topological Polar Surface Area 38.05
Polarizability 29.47
Ring Count 2
Rotatable Bond Count 5

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