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Chemical ID: 4255227
Chemical ID:
4255227
Name [?]:
N-(cyclohexylmethyl)-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCC2CCCCC2
InChi [?]:
InChI=1/C15H23N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,6,13,15,5,7,12,16,4,8,10,2,11,3,9/E:(4,5)(6,7)(8,9)(10,11)/rA:16cCCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.66946 |
Area: | 425.478 |
Solvation: | -0.967494 |
Coulombic: | -12.0876 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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