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Chemical ID: 4683649
Chemical ID:
4683649
Name [?]:
N-benzyl-N-(p-tolylmethyl)butan-1-amine
SMILES [?]:
CCCCN(Cc1ccccc1)Cc2ccc(cc2)C
InChi [?]:
InChI=1/C19H25N/c1-3-4-14-20(15-18-8-6-5-7-9-18)16-19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,10,9,11,8,12,16,18,15,19,4,6,13,17,7,14,5/E:(6,7)(8,9)(10,11)(12,13)/rA:20cCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0875 |
Area: | 506.056 |
Solvation: | -1.56386 |
Coulombic: | -9.17359 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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