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Chemical ID: 4563493
Chemical ID:
4563493
Name [?]:
N-[(2,2-dimethyltetrahydropyran-4-yl)methyl]-3-(4-methoxyphenyl)-3-phenyl-propan-1-amine
SMILES [?]:
CC1(CC(CCO1)CNCCC(c2ccccc2)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C24H33NO2/c1-24(2)17-19(14-16-27-24)18-25-15-13-23(20-7-5-4-6-8-20)21-9-11-22(26-3)12-10-21/h4-12,19,23,25H,13-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,26,16,15,17,14,18,20,24,21,23,11,5,10,6,3,8,4,13,19,22,12,2,9,25,7/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27cCCCCCCOCNCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s22;s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2918 |
Area: | 622.934 |
Solvation: | -4.28159 |
Coulombic: | -26.9921 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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