Chemical ID: 4970036

CCN(CC)CCOc1ccccc1c2ccccc2
Chemical ID:
4970036
Name [?]:
N-ethyl-N-[2-(2-phenylphenoxy)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCOc1ccccc1c2ccccc2
InChi [?]:
InChI=1/C18H23NO/c1-3-19(4-2)14-15-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,17,19,12,11,16,20,13,10,6,7,15,14,9,3,8/E:(1,2)(3,4)(6,7)(10,11)/rA:20nCCNCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.0228
Area:483.466
Solvation:-3.06385
Coulombic:-14.974
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:269.381
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.58
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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