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3-methyl-4-[(2-methylpentyl)oxy]aniline

3-methyl-4-[(2-methylpentyl)oxy]aniline

CAS: 946741-71-5

Formula: C13H21NO

SMILES: CCCC(C)COC1=C(C)C=C(N)C=C1

IUPAC: 3-methyl-4-[(2-methylpentyl)oxy]aniline

InChI: InChI=1/C13H21NO/c1-4-5-10(2)9-15-13-7-6-12(14)8-11(13)3/h6-8,10H,4-5,9,14H2,1-3H3

Composition: C (75.32%), H (10.21%), N (6.76%), O (7.72%)

Molar Mass: 207.317

Atom Count: 36

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.1623143
Formal Charge 0
FSP3 0.54
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RPWYHDSUMUHWAA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.21
Topological Polar Surface Area 35.25
Polarizability 24.98
Ring Count 1
Rotatable Bond Count 5

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