Chemical ID: 4121297

Cc1ccc(o1)C(CC=C)NCc2ccccc2
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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Descriptor Annotations

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