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Chemical ID: 4121876
Chemical ID:
4121876
Name [?]:
N-[1-(2-furyl)ethyl]-3-methyl-1-phenyl-but-3-en-1-amine
SMILES [?]:
CC(c1ccco1)NC(CC(=C)C)c2ccccc2
InChi [?]:
InChI=1/C17H21NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,14,16,18H,1,12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,17,16,18,5,15,19,4,6,10,11,2,14,9,3,8,7/E:(5,6)(8,9)/rA:19cCCCCCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;d11;s11;s9;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.10428 |
Area: | 468.827 |
Solvation: | -2.61639 |
Coulombic: | -18.7794 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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