Chemical ID: 4439879

CCC(C)c1ccccc1OCCNCc2ccccc2
Chemical ID:
4439879
Name [?]:
N-benzyl-2-(2-sec-butylphenoxy)-ethanamine
SMILES [?]:
CCC(C)c1ccccc1OCCNCc2ccccc2
InChi [?]:
InChI=1/C19H25NO/c1-3-16(2)18-11-7-8-12-19(18)21-14-13-20-15-17-9-5-4-6-10-17/h4-12,16,20H,3,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,19,18,20,7,8,17,21,6,9,13,12,15,3,16,5,10,14,11/E:(5,6)(9,10)/rA:21cCCCCCCCCCCOCCNCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.7306
Area:532.991
Solvation:-2.59417
Coulombic:-20.1535
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.408
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.02
LogP (Chemaxon):4.78

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Descriptor Annotations

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