Chemical ID: 4577867

CC(C)CCC1(CCOC(C1)C(C)C)CCNCc2ccc(cc2)OC
Chemical ID:
4577867
Name [?]:
2-(4-isopentyl-2-isopropyl-tetrahydropyran-4-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES [?]:
CC(C)CCC1(CCOC(C1)C(C)C)CCNCc2ccc(cc2)OC
InChi [?]:
InChI=1/C23H39NO2/c1-18(2)10-11-23(13-15-26-22(16-23)19(3)4)12-14-24-17-20-6-8-21(25-5)9-7-20/h6-9,18-19,22,24H,10-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,26,20,24,21,23,4,5,15,7,16,8,11,18,2,12,19,22,10,6,17,25,9/E:(1,2)(3,4)(6,7)(8,9)/rA:26cCCCCCCCCOCCCCCCCNCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s12;s12;s6;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H39NO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:12.0485
Area:633.618
Solvation:-3.79195
Coulombic:-27.1581
Bond Count [?]
All:27
Single:24
Double:3
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:361.561
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.29
LogP (Chemaxon):5.14

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Descriptor Annotations

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