Chemical ID: 4988220

c1ccc(cc1)CCN(CCc2ccccc2)C(Cc3ccccc3)c4ccccc4
Chemical ID:
4988220
Name [?]:
N-(1,2-diphenylethyl)-N-phenethyl-2-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)CCN(CCc2ccccc2)C(Cc3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C30H31N/c1-5-13-26(14-6-1)21-23-31(24-22-27-15-7-2-8-16-27)30(29-19-11-4-12-20-29)25-28-17-9-3-10-18-28/h1-20,30H,21-25H2
InChi Info:
AuxInfo=1/0/N:1,15,23,29,2,6,14,16,22,24,28,30,3,5,13,17,21,25,27,31,7,11,8,10,19,4,12,20,26,18,9/E:(1,2)(5,6,7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/rA:31cCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31N
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.8509
Area:636.405
Solvation:-2.05928
Coulombic:-12.9195
Bond Count [?]
All:34
Single:22
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.574
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.48
LogP (Chemaxon):8.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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