Chemical ID: 4480398

CC(c1ccccc1)NCCC(Cc2ccccc2)c3ccco3
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

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