Chemical ID: 4183446

CC(C)(C)c1ccc(cc1)OCCCNC(C)(C)C
Chemical ID:
4183446
Name [?]:
2-methyl-N-[3-(4-tert-butylphenoxy)propyl]propan-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCNC(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-16(2,3)14-8-10-15(11-9-14)19-13-7-12-18-17(4,5)6/h8-11,18H,7,12-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,18,19,13,6,10,7,9,14,12,5,8,2,16,15,11/E:(1,2,3)(4,5,6)(8,9)(10,11)/rA:19nCCCCCCCCCCOCCCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3409
Area:502.298
Solvation:-2.21651
Coulombic:-18.4399
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):3.92

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Descriptor Annotations

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