Chemical ID: 7513329

Cc1ccc(c(c1)OCCCNC(C)(C)C)Cl
Chemical ID:
7513329
Name [?]:
N-[3-(2-chloro-5-methyl-phenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCNC(C)(C)C)Cl
InChi [?]:
InChI=1/C14H22ClNO/c1-11-6-7-12(15)13(10-11)17-9-5-8-16-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,10,3,4,11,9,7,2,5,6,13,17,12,8/E:(2,3,4)/rA:17nCCCCCCCOCCCNCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22ClNO
All Atoms:39
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:9.4946
Area:474.944
Solvation:-2.379
Coulombic:-17.9573
Bond Count [?]
All:17
Single:14
Double:3
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.27
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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