3,5-dimethyl-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

3,5-dimethyl-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

CAS: 1040687-09-9

Formula: C21H29NO

SMILES: CCC(C)(C)C1=CC=C(OCCNC2=CC(C)=CC(C)=C2)C=C1

IUPAC: 3,5-dimethyl-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

InChI: InChI=1S/C21H29NO/c1-6-21(4,5)18-7-9-20(10-8-18)23-12-11-22-19-14-16(2)13-17(3)15-19/h7-10,13-15,22H,6,11-12H2,1-5H3

Composition: C (80.98%), H (9.39%), N (4.50%), O (5.14%)

Molar Mass: 311.469

Atom Count: 52

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	311.224914558
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RHIDKYNDROHDMM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.15
Topological Polar Surface Area	21.26
Polarizability	38.14
Ring Count	2
Rotatable Bond Count	7

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