Chemical ID: 7107576

CCCCNCc1ccc(cc1)Cl
Chemical ID:
7107576
Name [?]:
N-[(4-chlorophenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(cc1)Cl
InChi [?]:
InChI=1/C11H16ClN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,12,9,11,4,6,7,10,13,5/E:(4,5)(6,7)/rA:13nCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClN
All Atoms:29
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:9.16193
Area:405.287
Solvation:-0.970251
Coulombic:-11.6137
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.704
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.51
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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