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Chemical ID: 4441635
Chemical ID:
4441635
Name [?]:
3-(3-isopropylphenoxy)-N,N-dimethyl-propan-1-amine
SMILES [?]:
CC(C)c1cccc(c1)OCCCN(C)C
InChi [?]:
InChI=1/C14H23NO/c1-12(2)13-7-5-8-14(11-13)16-10-6-9-15(3)4/h5,7-8,11-12H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,12,5,7,13,11,9,2,4,8,14,10/E:(1,2)(3,4)/rA:16nCCCCCCCCCOCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78616 |
Area: | 446.024 |
Solvation: | -2.36443 |
Coulombic: | -14.1263 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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