Chemical ID: 4178768

COc1ccc(cc1)NCC2CCCCC2
Chemical ID:
4178768
Name [?]:
N-(cyclohexylmethyl)-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NCC2CCCCC2
InChi [?]:
InChI=1/C14H21NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,7,4,8,10,11,6,3,9,2/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCOCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.31774
Area:420.096
Solvation:-2.18465
Coulombic:-20.5983
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.03
LogP (Chemaxon):3.27

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