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Chemical ID: 7061754
Chemical ID:
7061754
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-N-propyl-propan-1-amine
SMILES [?]:
CCCN(CCC)CCCOc1ccccc1Cl
InChi [?]:
InChI=1/C15H24ClNO/c1-3-10-17(11-4-2)12-7-13-18-15-9-6-5-8-14(15)16/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,15,14,9,16,13,3,5,8,10,17,12,18,4,11/E:(1,2)(3,4)(10,11)/rA:18nCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24ClNO |
All Atoms: | 42 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3653 |
Area: | 512.202 |
Solvation: | -2.43974 |
Coulombic: | -15.1644 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 269.81 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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