Chemical ID: 7104946

CC(C)CNCc1cccc(c1)Cl
Chemical ID:
7104946
Name [?]:
N-[(3-chlorophenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C11H16ClN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,10,12,4,6,2,7,11,13,5/E:(1,2)/rA:13nCCCCNCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClN
All Atoms:29
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:9.00929
Area:397.706
Solvation:-0.933362
Coulombic:-11.5884
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:197.704
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.23
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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