Chemical ID: 4577058

CCC1(CC(CCO1)(CCC(C)C)CCNCc2ccc(cc2)OC(C)C)C
Chemical ID:
4577058
Name [?]:
2-(2-ethyl-4-isopentyl-2-methyl-tetrahydropyran-4-yl)-N-[(4-isopropoxyphenyl)methyl]ethanamine
SMILES [?]:
CCC1(CC(CCO1)(CCC(C)C)CCNCc2ccc(cc2)OC(C)C)C
InChi [?]:
InChI=1/C25H43NO2/c1-7-24(6)19-25(15-17-27-24,13-12-20(2)3)14-16-26-18-22-8-10-23(11-9-22)28-21(4)5/h8-11,20-21,26H,7,12-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,12,13,26,27,28,2,19,23,20,22,10,9,14,6,15,7,17,4,11,25,18,21,3,5,16,8,24/E:(2,3)(4,5)(8,9)(10,11)/rA:28cCCCCCCCOCCCCCCCNCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s5;s9;s10;s11;s11;s5;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H43NO2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.069
Area:662.899
Solvation:-3.50342
Coulombic:-27.5507
Bond Count [?]
All:29
Single:26
Double:3
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.614
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.29
LogP (Chemaxon):5.57

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Descriptor Annotations

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