Chemical ID: 4121764

CCOC(=O)C1Cc2ccccc2CN1
Chemical ID:
4121764
Name [?]:
ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILES [?]:
CCOC(=O)C1Cc2ccccc2CN1
InChi [?]:
InChI=1/C12H15NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,7,14,8,13,6,4,15,5,3/rA:15cCCOCOCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.45174
Area:385.87
Solvation:-2.195
Coulombic:-28.8564
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.61
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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