Chemical ID: 4297924

c1ccc2cc(ccc2c1)OCCCCCNCCO
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue