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Chemical ID: 5829641
Chemical ID:
5829641
Name [?]:
N-benzyl-1-(4-ethylphenyl)-N-methyl-methanamine
SMILES [?]:
CCc1ccc(cc1)CN(C)Cc2ccccc2
InChi [?]:
InChI=1/C17H21N/c1-3-15-9-11-17(12-10-15)14-18(2)13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,16,15,17,14,18,4,8,5,7,12,9,3,13,6,10/E:(5,6)(7,8)(9,10)(11,12)/rA:18cCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.86589 |
Area: | 459.036 |
Solvation: | -1.61001 |
Coulombic: | -8.59433 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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