Chemical ID: 6727723

CCc1ccc(cc1)NCc2cc(ccc2O)Br
Chemical ID:
6727723
Name [?]:
4-bromo-2-[(4-ethylphenyl)aminomethyl]phenol
SMILES [?]:
CCc1ccc(cc1)NCc2cc(ccc2O)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-2-11-3-6-14(7-4-11)17-10-12-9-13(16)5-8-15(12)18/h3-9,17-18H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,14,5,7,15,12,10,3,11,13,6,16,18,9,17/E:(3,4)(6,7)/rA:18nCCCCCCCCNCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.64865
Area:464.475
Solvation:-1.96323
Coulombic:-30.0001
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.198
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):4.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue