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Chemical ID: 7104946
Chemical ID:
7104946
Name [?]:
N-[(3-chlorophenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C11H16ClN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,10,12,4,6,2,7,11,13,5/E:(1,2)/rA:13nCCCCNCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClN |
All Atoms: | 29 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00929 |
Area: | 397.706 |
Solvation: | -0.933362 |
Coulombic: | -11.5884 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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