Chemical ID: 4683649

CCCCN(Cc1ccccc1)Cc2ccc(cc2)C
Chemical ID:
4683649
Name [?]:
N-benzyl-N-(p-tolylmethyl)butan-1-amine
SMILES [?]:
CCCCN(Cc1ccccc1)Cc2ccc(cc2)C
InChi [?]:
InChI=1/C19H25N/c1-3-4-14-20(15-18-8-6-5-7-9-18)16-19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,10,9,11,8,12,16,18,15,19,4,6,13,17,7,14,5/E:(6,7)(8,9)(10,11)(12,13)/rA:20cCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.0875
Area:506.056
Solvation:-1.56386
Coulombic:-9.17359
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.409
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.27
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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