Chemical ID: 7102266

CCc1ccc(cc1)CNCC(C)C
Chemical ID:
7102266
Name [?]:
N-[(4-ethylphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CCc1ccc(cc1)CNCC(C)C
InChi [?]:
InChI=1/C13H21N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,2,4,8,5,7,11,9,12,3,6,10/E:(2,3)(5,6)(7,8)/rA:14nCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N
All Atoms:35
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:9.2184
Area:409.68
Solvation:-1.02359
Coulombic:-11.5086
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.313
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.51
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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