Chemical ID: 5832445

CCOc1cc(ccc1O)CNCC2CCCO2
Chemical ID:
5832445
Name [?]:
2-ethoxy-4-(tetrahydrofuran-2-ylmethylaminomethyl)phenol
SMILES [?]:
CCOc1cc(ccc1O)CNCC2CCCO2
InChi [?]:
InChI=1/C14H21NO3/c1-2-17-14-8-11(5-6-13(14)16)9-15-10-12-4-3-7-18-12/h5-6,8,12,15-16H,2-4,7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,7,8,17,5,11,13,6,14,9,4,12,10,3,18/rA:18cCCOCCCCCCOCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.25683
Area:469.26
Solvation:-5.47468
Coulombic:-39.5893
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):1.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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