Chemical ID: 4563493

CC1(CC(CCO1)CNCCC(c2ccccc2)c3ccc(cc3)OC)C
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

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Descriptor Annotations

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