Chemical ID: 4288651

COc1ccc(cc1)NCc2ccc3ccc4cccc5c4c3c2cc5
Chemical ID:
4288651
Name [?]:
4-methoxy-N-(pyren-1-ylmethyl)aniline
SMILES [?]:
COc1ccc(cc1)NCc2ccc3ccc4cccc5c4c3c2cc5
InChi [?]:
InChI=1/C24H19NO/c1-26-21-12-10-20(11-13-21)25-15-19-8-7-18-6-5-16-3-2-4-17-9-14-22(19)24(18)23(16)17/h2-14,25H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,16,15,13,12,26,5,7,4,8,25,10,17,21,14,11,6,3,24,22,23,9,2/E:(10,11)(12,13)/rA:26nCOCCCCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;d11s23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19NO
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4142
Area:535.978
Solvation:-2.98521
Coulombic:-22.6021
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.42
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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