Chemical ID: 7089990

CC(c1ccccc1)NCc2ccc(c(c2)OC)O
Chemical ID:
7089990
Name [?]:
2-methoxy-4-(1-phenylethylaminomethyl)phenol
SMILES [?]:
CC(c1ccccc1)NCc2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C16H19NO2/c1-12(14-6-4-3-5-7-14)17-11-13-8-9-15(18)16(10-13)19-2/h3-10,12,17-18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,7,4,8,12,13,16,10,2,11,3,14,15,9,19,17/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO2
All Atoms:38
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.92888
Area:473.307
Solvation:-3.90379
Coulombic:-34.2991
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.328
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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