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Chemical ID: 4314459
Chemical ID:
4314459
Name [?]:
N,N-diethyl-3-(2-isopropylphenoxy)-propan-1-amine
SMILES [?]:
CCN(CC)CCCOc1ccccc1C(C)C
InChi [?]:
InChI=1/C16H27NO/c1-5-17(6-2)12-9-13-18-16-11-8-7-10-15(16)14(3)4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,17,18,2,4,13,12,7,14,11,6,8,16,15,10,3,9/E:(1,2)(3,4)(5,6)/rA:18nCCNCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0481 |
Area: | 491.165 |
Solvation: | -2.23102 |
Coulombic: | -14.6664 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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