Chemical ID: 7108967

CN(C)CCCNCc1cc(ccc1OC)Cl
Chemical ID:
7108967
Name [?]:
N'-[(5-chloro-2-methoxy-phenyl)methyl]-N,N-dimethyl-propane-1,3-diamine
SMILES [?]:
CN(C)CCCNCc1cc(ccc1OC)Cl
InChi [?]:
InChI=1/C13H21ClN2O/c1-16(2)8-4-7-15-10-11-9-12(14)5-6-13(11)17-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,16,5,12,13,6,4,10,8,9,11,14,17,7,2,15/E:(1,2)/rA:17nCNCCCCNCCCCCCCOCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21ClN2O
All Atoms:38
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.8488
Area:480.325
Solvation:-3.15932
Coulombic:-21.4158
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.771
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.28
LogP (Chemaxon):1.87

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Descriptor Annotations

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