Chemical ID: 5122620

CCOc1ccc(cc1)CN
Chemical ID:
5122620
Name [?]:
(4-ethoxyphenyl)methanamine
SMILES [?]:
CCOc1ccc(cc1)CN
InChi [?]:
InChI=1/C9H13NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,10,7,4,11,3/E:(3,4)(5,6)/rA:11nCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.02899
Area:327.892
Solvation:-2.16831
Coulombic:-20.423
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.206
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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