Chemical ID: 4297575

CC(C)(C)NCCCOc1cccc(c1)Cl
Chemical ID:
4297575
Name [?]:
N-[3-(3-chlorophenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCCCOc1cccc(c1)Cl
InChi [?]:
InChI=1/C13H20ClNO/c1-13(2,3)15-8-5-9-16-12-7-4-6-11(14)10-12/h4,6-7,10,15H,5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,7,13,11,6,8,15,14,10,2,16,5,9/E:(1,2,3)/rA:16nCCCCNCCCOCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.23149
Area:456.56
Solvation:-2.1825
Coulombic:-17.7928
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.757
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.83
LogP (Chemaxon):2.82

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