Chemical ID: 4411952

COCCNCCCCOc1ccc(cc1Cl)Br
Chemical ID:
4411952
Name [?]:
4-(4-bromo-2-chloro-phenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILES [?]:
COCCNCCCCOc1ccc(cc1Cl)Br
InChi [?]:
InChI=1/C13H19BrClNO2/c1-17-9-7-16-6-2-3-8-18-13-5-4-11(14)10-12(13)15/h4-5,10,16H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,13,12,6,4,9,3,15,14,16,11,18,17,5,2,10/rA:18nCOCCNCCCCOCCCCCCClBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19BrClNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.12039
Area:521.201
Solvation:-3.90964
Coulombic:-25.1358
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.652
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):3.06

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Descriptor Annotations

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