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Chemical ID: 5832402
Chemical ID:
5832402
Name [?]:
4-(cyclopentylaminomethyl)-2-ethoxy-phenol
SMILES [?]:
CCOc1cc(ccc1O)CNC2CCCC2
InChi [?]:
InChI=1/C14H21NO2/c1-2-17-14-9-11(7-8-13(14)16)10-15-12-5-3-4-6-12/h7-9,12,15-16H,2-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,7,8,5,11,6,13,9,4,12,10,3/E:(3,4)(5,6)/rA:17nCCOCCCCCCOCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77389 |
Area: | 446.366 |
Solvation: | -3.38527 |
Coulombic: | -33.2297 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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