1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

CAS: 400749-85-1

Formula: C19H27N

SMILES: CC1=C(C)C=C(C=C1)C12CC3CC(CC(CN)(C3)C1)C2

IUPAC: 1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

InChI: InChI=1/C19H27N/c1-13-3-4-17(5-14(13)2)19-9-15-6-16(10-19)8-18(7-15,11-19)12-20/h3-5,15-16H,6-12,20H2,1-2H3

Composition: C (84.70%), H (10.10%), N (5.20%)

Molar Mass: 269.432

Atom Count: 47

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	269.214349873
Formal Charge	0
FSP3	0.68
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	HDLFKUFFYZVAIX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.76
Topological Polar Surface Area	26.02
Polarizability	33.44
Ring Count	4
Rotatable Bond Count	2

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