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Chemical ID: 4441310
Chemical ID:
4441310
Name [?]:
N-[3-(4-isopropyl-3-methyl-phenoxy)propyl]butan-2-amine
SMILES [?]:
CCC(C)NCCCOc1ccc(c(c1)C)C(C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-15(5)18-10-7-11-19-16-8-9-17(13(2)3)14(4)12-16/h8-9,12-13,15,18H,6-7,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,19,16,4,2,7,11,12,6,8,15,17,14,3,10,13,5,9/E:(2,3)/rA:19cCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6135 |
Area: | 513.812 |
Solvation: | -2.23182 |
Coulombic: | -18.3355 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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