(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

CAS: 153365-82-3

Formula: C13H20ClNO

SMILES: C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1

IUPAC: (1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

InChI: InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m0/s1

Composition: C (64.59%), H (8.34%), Cl (14.66%), N (5.79%), O (6.62%)

Molar Mass: 241.76

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	241.123342
Formal Charge	0
FSP3	N/A
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NDPTTXIBLSWNSF-JOYOIKCWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.3
Topological Polar Surface Area	32.26
Polarizability	27.22
Ring Count	1
Rotatable Bond Count	4

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