Chemical ID: 4313567

CC(C)(C)c1ccc(cc1)OCCNC(C)(C)C
Chemical ID:
4313567
Name [?]:
2-methyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCNC(C)(C)C
InChi [?]:
InChI=1/C16H27NO/c1-15(2,3)13-7-9-14(10-8-13)18-12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,17,18,6,10,7,9,13,12,5,8,2,15,14,11/E:(1,2,3)(4,5,6)(7,8)(9,10)/rA:18nCCCCCCCCCCOCCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.70792
Area:473.446
Solvation:-2.12823
Coulombic:-18.4381
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.392
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):3.87

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Descriptor Annotations

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