Chemical ID: 7512351

CCN(CC)CCCOc1ccccc1C(C)(C)C
Chemical ID:
7512351
Name [?]:
N,N-diethyl-3-(2-tert-butylphenoxy)-propan-1-amine
SMILES [?]:
CCN(CC)CCCOc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-18(7-2)13-10-14-19-16-12-9-8-11-15(16)17(3,4)5/h8-9,11-12H,6-7,10,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,17,18,19,2,4,13,12,7,14,11,6,8,15,10,16,3,9/E:(1,2)(3,4,5)(6,7)/rA:19nCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:48
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:10.3997
Area:497.226
Solvation:-2.03097
Coulombic:-14.8592
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.6
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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