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Chemical ID: 4121297
Chemical ID:
4121297
Name [?]:
N-benzyl-1-(5-methyl-2-furyl)-but-3-en-1-amine
SMILES [?]:
Cc1ccc(o1)C(CC=C)NCc2ccccc2
InChi [?]:
InChI=1/C16H19NO/c1-3-7-15(16-11-10-13(2)18-16)17-12-14-8-5-4-6-9-14/h3-6,8-11,15,17H,1,7,12H2,2H3
InChi Info:
AuxInfo=1/0/N:10,1,9,16,15,17,8,14,18,3,4,12,2,13,7,5,11,6/E:(5,6)(8,9)/rA:18cCCCCCOCCCCNCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s7;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.2367 |
Area: | 465.909 |
Solvation: | -2.41102 |
Coulombic: | -18.9534 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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