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Chemical ID: 4297924
Chemical ID:
4297924
Name [?]:
2-[5-(2-naphthyloxy)pentylamino]ethanol
SMILES [?]:
c1ccc2cc(ccc2c1)OCCCCCNCCO
InChi [?]:
InChI=1/C17H23NO2/c19-12-11-18-10-4-1-5-13-20-17-9-8-15-6-2-3-7-16(15)14-17/h2-3,6-9,14,18-19H,1,4-5,10-13H2
InChi Info:
AuxInfo=1/0/N:14,1,2,15,13,10,3,8,7,16,18,19,12,5,9,4,6,17,20,11/rA:20nCCCCCCCCCCOCCCCCNCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;s15;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74555 |
Area: | 521.486 |
Solvation: | -4.29161 |
Coulombic: | -34.3133 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 273.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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