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Chemical ID: 4441197
Chemical ID:
4441197
Name [?]:
3-(2-chlorophenoxy)-N,N-dimethyl-propan-1-amine
SMILES [?]:
CN(C)CCCOc1ccccc1Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,5,12,9,4,6,13,8,14,2,7/E:(1,2)/rA:14nCNCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74507 |
Area: | 410.674 |
Solvation: | -2.52179 |
Coulombic: | -14.0285 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.704 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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