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Chemical ID: 5486748
Chemical ID:
5486748
Name [?]:
2-(1,1-dimethylpropylamino)-1-phenyl-ethanol
SMILES [?]:
CCC(C)(C)NCC(c1ccccc1)O
InChi [?]:
InChI=1/C13H21NO/c1-4-13(2,3)14-10-12(15)11-8-6-5-7-9-11/h5-9,12,14-15H,4,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,12,11,13,10,14,7,9,8,3,6,15/E:(2,3)(6,7)(8,9)/rA:15cCCCCCNCCCCCCCCO/rB:s1;s2;s3;s3;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.85363 |
Area: | 409.397 |
Solvation: | -2.38128 |
Coulombic: | -27.7367 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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