Chemical ID: 4970997

CCN(CC)CCOc1ccccc1C
Chemical ID:
4970997
Name [?]:
N-ethyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCOc1ccccc1C
InChi [?]:
InChI=1/C13H21NO/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,12,11,13,10,6,7,14,9,3,8/E:(1,2)(4,5)/rA:15nCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.65059
Area:414.983
Solvation:-2.72397
Coulombic:-13.2267
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.86
LogP (Chemaxon):2.93

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Descriptor Annotations

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