Chemical ID: 7102222

CCOc1ccc(cc1)CNCC(C)C
Chemical ID:
7102222
Name [?]:
N-[(4-ethoxyphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CCOc1ccc(cc1)CNCC(C)C
InChi [?]:
InChI=1/C13H21NO/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,8,5,9,12,10,13,7,4,11,3/E:(2,3)(5,6)(7,8)/rA:15nCCOCCCCCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:36
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.41767
Area:427.264
Solvation:-2.26394
Coulombic:-17.8994
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):2.88

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Descriptor Annotations

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