Chemical ID: 4440841

CCC(C)NCCCOc1ccc(cc1C)C(C)(C)C
Chemical ID:
4440841
Name [?]:
N-[3-(2-methyl-4-tert-butyl-phenoxy)propyl]butan-2-amine
SMILES [?]:
CCC(C)NCCCOc1ccc(cc1C)C(C)(C)C
InChi [?]:
InChI=1/C18H31NO/c1-7-15(3)19-11-8-12-20-17-10-9-16(13-14(17)2)18(4,5)6/h9-10,13,15,19H,7-8,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,16,4,18,19,20,2,7,12,11,6,8,14,15,3,13,10,17,5,9/E:(4,5,6)/rA:20cCCCCNCCCOCCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.1139
Area:531.748
Solvation:-2.17983
Coulombic:-18.6828
Bond Count [?]
All:20
Single:17
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.19
LogP (Chemaxon):4.78

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