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Chemical ID: 4313567
Chemical ID:
4313567
Name [?]:
2-methyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCNC(C)(C)C
InChi [?]:
InChI=1/C16H27NO/c1-15(2,3)13-7-9-14(10-8-13)18-12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,17,18,6,10,7,9,13,12,5,8,2,15,14,11/E:(1,2,3)(4,5,6)(7,8)(9,10)/rA:18nCCCCCCCCCCOCCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70792 |
Area: | 473.446 |
Solvation: | -2.12823 |
Coulombic: | -18.4381 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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