Chemical ID: 5031567

CCN(CC(CCl)O)c1cccc(c1)C
Chemical ID:
5031567
Name [?]:
1-chloro-3-(ethyl-(m-tolyl)amino)-propan-2-ol
SMILES [?]:
CCN(CC(CCl)O)c1cccc(c1)C
InChi [?]:
InChI=1/C12H18ClNO/c1-3-14(9-12(15)8-13)11-6-4-5-10(2)7-11/h4-7,12,15H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,11,12,10,14,6,4,13,9,5,7,3,8/rA:15cCCNCCCClOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s3;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.35572
Area:418.565
Solvation:-3.10841
Coulombic:-23.692
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.73
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):3.45

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