Chemical ID: 5246627

COc1cc(ccc1O)C(Cc2ccccc2)N
Chemical ID:
5246627
Name [?]:
4-(1-amino-2-phenyl-ethyl)-2-methoxy-phenol
SMILES [?]:
COc1cc(ccc1O)C(Cc2ccccc2)N
InChi [?]:
InChI=1/C15H17NO2/c1-18-15-10-12(7-8-14(15)17)13(16)9-11-5-3-2-4-6-11/h2-8,10,13,17H,9,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,6,7,11,4,12,5,10,8,3,18,9,2/E:(3,4)(5,6)/rA:18cCOCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;s12;d13;s14;d15;d12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.14041
Area:442.17
Solvation:-3.91383
Coulombic:-37.4792
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):2.43

Name Annotations

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Descriptor Annotations

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