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Chemical ID: 7061744
Chemical ID:
7061744
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-N-isopropyl-propan-2-amine
SMILES [?]:
CC(C)N(CCCOc1ccccc1Cl)C(C)C
InChi [?]:
InChI=1/C15H24ClNO/c1-12(2)17(13(3)4)10-7-11-18-15-9-6-5-8-14(15)16/h5-6,8-9,12-13H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,12,11,6,13,10,5,7,2,16,14,9,15,4,8/E:(1,2,3,4)(12,13)/rA:18nCCCNCCCOCCCCCCClCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s4;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24ClNO |
All Atoms: | 42 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68307 |
Area: | 484.284 |
Solvation: | -2.42403 |
Coulombic: | -14.6083 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.81 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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