Chemical ID: 4122064

COc1ccc(cc1OC)CNCC2CCCO2
Chemical ID:
4122064
Name [?]:
1-(3,4-dimethoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
SMILES [?]:
COc1ccc(cc1OC)CNCC2CCCO2
InChi [?]:
InChI=1/C14H21NO3/c1-16-13-6-5-11(8-14(13)17-2)9-15-10-12-4-3-7-18-12/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,5,4,17,7,11,13,6,14,3,8,12,2,9,18/rA:18cCOCCCCCCOCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:5.09267
Area:462.089
Solvation:-6.45955
Coulombic:-30.1186
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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