Chemical ID: 7102327

CCC(C)NCc1ccccc1OCC
Chemical ID:
7102327
Name [?]:
N-[(2-ethoxyphenyl)methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1ccccc1OCC
InChi [?]:
InChI=1/C13H21NO/c1-4-11(3)14-10-12-8-6-7-9-13(12)15-5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,4,2,14,9,10,8,11,6,3,7,12,5,13/rA:15cCCCCNCCCCCCCOCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:36
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.95124
Area:414.924
Solvation:-2.42187
Coulombic:-17.5324
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):2.89

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