Chemical ID: 3966081

CC(C)NCC(c1ccccc1Cl)O
Chemical ID:
3966081
Name [?]:
1-(2-chlorophenyl)-2-isopropylamino-ethanol
SMILES [?]:
CC(C)NCC(c1ccccc1Cl)O
InChi [?]:
InChI=1/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,10,8,11,5,2,7,12,6,13,4,14/E:(1,2)/rA:14cCCCNCCCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.79956
Area:399.42
Solvation:-2.18593
Coulombic:-27.6184
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.704
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):2.47

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Descriptor Annotations

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