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Chemical ID: 5229954
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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