Chemical ID: 5829641

CCc1ccc(cc1)CN(C)Cc2ccccc2
Chemical ID:
5829641
Name [?]:
N-benzyl-1-(4-ethylphenyl)-N-methyl-methanamine
SMILES [?]:
CCc1ccc(cc1)CN(C)Cc2ccccc2
InChi [?]:
InChI=1/C17H21N/c1-3-15-9-11-17(12-10-15)14-18(2)13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,16,15,17,14,18,4,8,5,7,12,9,3,13,6,10/E:(5,6)(7,8)(9,10)(11,12)/rA:18cCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.86589
Area:459.036
Solvation:-1.61001
Coulombic:-8.59433
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:239.355
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.38
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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