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Chemical ID: 4987889
Chemical ID:
4987889
Name [?]:
N-methyl-2-phenyl-1-tetralin-2-yl-ethanamine
SMILES [?]:
CNC(Cc1ccccc1)c2ccc3c(c2)CCCC3
InChi [?]:
InChI=1/C19H23N/c1-20-19(13-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)14-18/h2-4,7-8,11-12,14,19-20H,5-6,9-10,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,19,18,6,10,20,17,13,12,4,16,5,14,15,11,3,2/E:(3,4)(7,8)/rA:20cCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5528 |
Area: | 473.857 |
Solvation: | -1.29358 |
Coulombic: | -12.4086 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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