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Chemical ID: 5256045
Chemical ID:
5256045
Name [?]:
1-(4-chlorophenyl)-N,2-dimethyl-pentan-2-amine
SMILES [?]:
CCCC(C)(Cc1ccc(cc1)Cl)NC
InChi [?]:
InChI=1/C13H20ClN/c1-4-9-13(2,15-3)10-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,8,12,9,11,3,6,7,10,4,13,14/E:(5,6)(7,8)/rA:15cCCCCCCCCCCCCClNC/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s10;s4;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34201 |
Area: | 411.096 |
Solvation: | -0.935379 |
Coulombic: | -11.7187 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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