Chemical ID: 4294632

CCCCNCCCCCCOc1c(cccc1C)C
Chemical ID:
4294632
Name [?]:
N-butyl-6-(2,6-dimethylphenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1c(cccc1C)C
InChi [?]:
InChI=1/C18H31NO/c1-4-5-13-19-14-8-6-7-9-15-20-18-16(2)11-10-12-17(18)3/h10-12,19H,4-9,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,3,8,9,7,10,16,17,15,4,6,11,18,14,13,5,12/E:(2,3)(11,12)(16,17)/rA:20nCCCCNCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.9408
Area:557.547
Solvation:-1.9979
Coulombic:-19.4316
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:277.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.79
LogP (Chemaxon):4.85

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Descriptor Annotations

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