Chemical ID: 6046172

CNCC1CCCCC1(c2cccc(c2)OC)O
Chemical ID:
6046172
Name [?]:
1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILES [?]:
CNCC1CCCCC1(c2cccc(c2)OC)O
InChi [?]:
InChI=1/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,6,7,12,5,11,13,8,15,3,10,4,14,9,2,18,16/rA:18cCNCCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.37043
Area:431.154
Solvation:-3.40841
Coulombic:-34.6155
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.2
LogP (Chemaxon):1.94

Name Annotations

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Descriptor Annotations

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