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Chemical ID: 4413275
Chemical ID:
4413275
Name [?]:
4-(3,4-dichlorophenoxy)-N-(3-methoxypropyl)butan-1-amine
SMILES [?]:
COCCCNCCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C14H21Cl2NO2/c1-18-9-4-8-17-7-2-3-10-19-12-5-6-13(15)14(16)11-12/h5-6,11,17H,2-4,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,4,13,14,7,5,3,10,17,12,15,16,19,18,6,2,11/rA:19nCOCCCNCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85857 |
Area: | 554.296 |
Solvation: | -3.99883 |
Coulombic: | -25.1781 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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