Chemical ID: 7061796

CCCCN(C)CCCOc1ccccc1Cl
Chemical ID:
7061796
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccccc1Cl
InChi [?]:
InChI=1/C14H22ClNO/c1-3-4-10-16(2)11-7-12-17-14-9-6-5-8-13(14)15/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,13,8,15,12,4,7,9,16,11,17,5,10/rA:17cCCCCNCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22ClNO
All Atoms:39
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.74594
Area:488.832
Solvation:-2.47485
Coulombic:-14.9127
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:255.783
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):3.55

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