Chemical ID: 4314459

CCN(CC)CCCOc1ccccc1C(C)C
Chemical ID:
4314459
Name [?]:
N,N-diethyl-3-(2-isopropylphenoxy)-propan-1-amine
SMILES [?]:
CCN(CC)CCCOc1ccccc1C(C)C
InChi [?]:
InChI=1/C16H27NO/c1-5-17(6-2)12-9-13-18-16-11-8-7-10-15(16)14(3)4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,17,18,2,4,13,12,7,14,11,6,8,16,15,10,3,9/E:(1,2)(3,4)(5,6)/rA:18nCCNCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0481
Area:491.165
Solvation:-2.23102
Coulombic:-14.6664
Bond Count [?]
All:18
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:249.392
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):3.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue