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Chemical ID: 5143562
Chemical ID:
5143562
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]norbornan-2-amine
SMILES [?]:
COc1ccc(cc1OC)CCNC2CC3CCC2C3
InChi [?]:
InChI=1/C17H25NO2/c1-19-16-6-4-12(11-17(16)20-2)7-8-18-15-10-13-3-5-14(15)9-13/h4,6,11,13-15,18H,3,5,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,5,18,4,11,12,20,15,7,6,16,19,14,3,8,13,2,9/rA:20cCOCCCCCCOCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;s17;s14s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.88187 |
Area: | 489.605 |
Solvation: | -4.35825 |
Coulombic: | -24.0809 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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