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Chemical ID: 7244149
Chemical ID:
7244149
Name [?]:
1-(3,4-dipropoxyphenyl)ethanamine
SMILES [?]:
CCCOc1ccc(cc1OCCC)C(C)N
InChi [?]:
InChI=1/C14H23NO2/c1-4-8-16-13-7-6-12(11(3)15)10-14(13)17-9-5-2/h6-7,10-11H,4-5,8-9,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,16,2,13,7,6,3,12,9,15,8,5,10,17,4,11/rA:17cCCCOCCCCCCOCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s8;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2 |
All Atoms: | 40 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.5603 |
Area: | 465.895 |
Solvation: | -4.08706 |
Coulombic: | -28.1219 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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