Chemical ID: 6430258

Cc1cccc(c1NC(C)c2cc(ccc2O)Cl)C
Chemical ID:
6430258
Name [?]:
4-chloro-2-[1-(2,6-dimethylphenyl)aminoethyl]phenol
SMILES [?]:
Cc1cccc(c1NC(C)c2cc(ccc2O)Cl)C
InChi [?]:
InChI=1/C16H18ClNO/c1-10-5-4-6-11(2)16(10)18-12(3)14-9-13(17)7-8-15(14)19/h4-9,12,18-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,10,4,3,5,14,15,12,2,6,9,13,11,16,7,18,8,17/E:(1,2)(5,6)(10,11)/rA:19cCCCCCCCNCCCCCCCCOClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;s11;d12;s13;d14;d11s15;s16;s13;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.67412
Area:460.401
Solvation:-1.83591
Coulombic:-30.0127
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.773
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):4.98

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