Chemical ID: 4294801

CCCCNCCCOc1ccc(cc1)C(C)(C)C
Chemical ID:
4294801
Name [?]:
N-[3-(4-tert-butylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-5-6-12-18-13-7-14-19-16-10-8-15(9-11-16)17(2,3)4/h8-11,18H,5-7,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,2,3,7,12,14,11,15,4,6,8,13,10,16,5,9/E:(2,3,4)(8,9)(10,11)/rA:19nCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.7802
Area:521.074
Solvation:-2.24665
Coulombic:-19.0034
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.08
LogP (Chemaxon):4.3

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Descriptor Annotations

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