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Chemical ID: 4480398
Chemical ID:
4480398
Name [?]:
3-(2-furyl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
SMILES [?]:
CC(c1ccccc1)NCCC(Cc2ccccc2)c3ccco3
InChi [?]:
InChI=1/C22H25NO/c1-18(20-11-6-3-7-12-20)23-15-14-21(22-13-8-16-24-22)17-19-9-4-2-5-10-19/h2-13,16,18,21,23H,14-15,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,6,16,18,5,7,22,15,19,4,8,21,11,10,23,13,2,14,3,12,20,9,24/E:(4,5)(6,7)(9,10)(11,12)/rA:24cCCCCCCCCNCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3709 |
Area: | 559.213 |
Solvation: | -2.60944 |
Coulombic: | -19.4393 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.72 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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