Chemical ID: 4182622

COc1ccc(cc1OC)C2(CCOCC2)CN
Chemical ID:
4182622
Name [?]:
[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methanamine
SMILES [?]:
COc1ccc(cc1OC)C2(CCOCC2)CN
InChi [?]:
InChI=1/C14H21NO3/c1-16-12-4-3-11(9-13(12)17-2)14(10-15)5-7-18-8-6-14/h3-4,9H,5-8,10,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,12,16,13,15,7,17,6,3,8,11,18,2,9,14/E:(5,6)(7,8)/rA:18nCOCCCCCCOCCCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s11s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.66204
Area:427.488
Solvation:-6.02517
Coulombic:-34.1738
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.83
LogP (Chemaxon):0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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