Chemical ID: 4440826

CN(CCCOc1cccc2c1cccc2)Cc3ccccc3
Chemical ID:
4440826
Name [?]:
N-benzyl-N-methyl-3-(1-naphthyloxy)propan-1-amine
SMILES [?]:
CN(CCCOc1cccc2c1cccc2)Cc3ccccc3
InChi [?]:
InChI=1/C21H23NO/c1-22(17-18-9-3-2-4-10-18)15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14H,8,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,15,14,9,4,19,23,16,10,13,8,3,5,17,18,11,12,7,2,6/E:(3,4)(9,10)/rA:23cCNCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s2;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.5914
Area:541.22
Solvation:-2.93913
Coulombic:-16.4861
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.413
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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