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Chemical ID: 5191622
Chemical ID:
5191622
Name [?]:
1-benzyloxy-3-methylamino-propan-2-ol
SMILES [?]:
CNCC(COCc1ccccc1)O
InChi [?]:
InChI=1/C11H17NO2/c1-12-7-11(13)9-14-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,7,5,8,4,2,14,6/E:(3,4)(5,6)/rA:14cCNCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.20673 |
Area: | 404.665 |
Solvation: | -4.90988 |
Coulombic: | -33.7023 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.67 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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