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Chemical ID: 4562399
Chemical ID:
4562399
Name [?]:
2-(methyl-pentyl-amino)-1-phenyl-propan-1-ol
SMILES [?]:
CCCCCN(C)C(C)C(c1ccccc1)O
InChi [?]:
InChI=1/C15H25NO/c1-4-5-9-12-16(3)13(2)15(17)14-10-7-6-8-11-14/h6-8,10-11,13,15,17H,4-5,9,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,7,2,3,14,13,15,4,12,16,5,8,11,10,6,17/E:(7,8)(10,11)/rA:17cCCCCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s6;s8;s8;s10;s11;d12;s13;d14;d11s15;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.08281 |
Area: | 459.662 |
Solvation: | -2.40875 |
Coulombic: | -24.7207 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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