Chemical ID: 5256045

CCCC(C)(Cc1ccc(cc1)Cl)NC
Chemical ID:
5256045
Name [?]:
1-(4-chlorophenyl)-N,2-dimethyl-pentan-2-amine
SMILES [?]:
CCCC(C)(Cc1ccc(cc1)Cl)NC
InChi [?]:
InChI=1/C13H20ClN/c1-4-9-13(2,15-3)10-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,8,12,9,11,3,6,7,10,4,13,14/E:(5,6)(7,8)/rA:15cCCCCCCCCCCCCClNC/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s10;s4;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20ClN
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.34201
Area:411.096
Solvation:-0.935379
Coulombic:-11.7187
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.757
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.12
LogP (Chemaxon):3.7

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Descriptor Annotations

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