Chemical ID: 6461403

CCOc1ccccc1CNC(C)c2ccccc2
Chemical ID:
6461403
Name [?]:
N-[(2-ethoxyphenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CCOc1ccccc1CNC(C)c2ccccc2
InChi [?]:
InChI=1/C17H21NO/c1-3-19-17-12-8-7-11-16(17)13-18-14(2)15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,17,16,18,7,6,15,19,8,5,10,12,14,9,4,11,3/E:(5,6)(9,10)/rA:19cCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.58771
Area:478.196
Solvation:-2.36719
Coulombic:-19.4806
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.355
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.11
LogP (Chemaxon):3.85

Name Annotations

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Descriptor Annotations

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