Chemical ID: 4492496

CC(C)(CO)NCC(COc1ccccc1Cl)O
Chemical ID:
4492496
Name [?]:
2-[3-(2-chlorophenoxy)-2-hydroxy-propyl]amino-2-methyl-propan-1-ol
SMILES [?]:
CC(C)(CO)NCC(COc1ccccc1Cl)O
InChi [?]:
InChI=1/C13H20ClNO3/c1-13(2,9-16)15-7-10(17)8-18-12-6-4-3-5-11(12)14/h3-6,10,15-17H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,7,9,4,8,16,11,2,17,6,5,18,10/E:(1,2)/rA:18cCCCCONCCCOCCCCCCClO/rB:s1;s2;s2;s4;s2;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s8;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20ClNO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.61913
Area:481.697
Solvation:-5.4233
Coulombic:-50.3462
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:273.756
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.67
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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