Chemical ID: 7113789

CC(C(c1ccccc1)O)NCc2cccc(c2Cl)Cl
Chemical ID:
7113789
Name [?]:
2-[(2,3-dichlorophenyl)methylamino]-1-phenyl-propan-1-ol
SMILES [?]:
CC(C(c1ccccc1)O)NCc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H17Cl2NO/c1-11(16(20)12-6-3-2-4-7-12)19-10-13-8-5-9-14(17)15(13)18/h2-9,11,16,19-20H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,15,5,9,14,16,12,2,4,13,17,18,3,20,19,11,10/E:(3,4)(6,7)/rA:20cCCCCCCCCCONCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17Cl2NO
All Atoms:37
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.92626
Area:503.87
Solvation:-2.67049
Coulombic:-29.5924
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.218
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.34
LogP (Chemaxon):4.43

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