Chemical ID: 5155988

COc1ccc(cc1)CNCCCCO
Chemical ID:
5155988
Name [?]:
4-[(4-methoxyphenyl)methylamino]butan-1-ol
SMILES [?]:
COc1ccc(cc1)CNCCCCO
InChi [?]:
InChI=1/C12H19NO2/c1-15-12-6-4-11(5-7-12)10-13-8-2-3-9-14/h4-7,13-14H,2-3,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,5,7,4,8,11,14,9,6,3,10,15,2/E:(4,5)(6,7)/rA:15nCOCCCCCCCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.02077
Area:430.45
Solvation:-3.74048
Coulombic:-33.3899
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.46
LogP (Chemaxon):1.38

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Descriptor Annotations

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