Chemical ID: 5229954

COc1cccc(c1)CC(CCCO)N
Chemical ID:
5229954
Name [?]:
4-amino-5-(3-methoxyphenyl)-pentan-1-ol
SMILES [?]:
COc1cccc(c1)CC(CCCO)N
InChi [?]:
InChI=1/C12H19NO2/c1-15-12-6-2-4-10(9-12)8-11(13)5-3-7-14/h2,4,6,9,11,14H,3,5,7-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,12,6,11,4,13,9,8,7,10,3,15,14,2/rA:15cCOCCCCCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.66608
Area:413.968
Solvation:-3.68312
Coulombic:-36.8953
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.26
LogP (Chemaxon):1.29

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