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Chemical ID: 5173740
Chemical ID:
5173740
Name [?]:
1-(3,4-dimethoxyphenyl)butan-2-amine
SMILES [?]:
CCC(Cc1ccc(c(c1)OC)OC)N
InChi [?]:
InChI=1/C12H19NO2/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8,10H,4,7,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,2,6,7,4,10,5,3,8,9,15,13,11/rA:15cCCCCCCCCCCOCOCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.57669 |
Area: | 399.185 |
Solvation: | -4.40293 |
Coulombic: | -27.0701 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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