Chemical ID: 5256040

CCC(C)(Cc1ccc(cc1)Cl)N
Chemical ID:
5256040
Name [?]:
1-(4-chlorophenyl)-2-methyl-butan-2-amine
SMILES [?]:
CCC(C)(Cc1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C11H16ClN/c1-3-11(2,13)8-9-4-6-10(12)7-5-9/h4-7H,3,8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,7,11,8,10,5,6,9,3,12,13/E:(4,5)(6,7)/rA:13cCCCCCCCCCCCClN/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s9;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClN
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:8.44787
Area:371.309
Solvation:-0.834844
Coulombic:-14.8651
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:197.704
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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