Chemical ID: 7118782

CC1CCCCC1[NH2+]Cc2ccccc2OC
Chemical ID:
7118782
Name [?]:
(2-methoxyphenyl)methyl-(2-methylcyclohexyl)-ammonium
SMILES [?]:
CC1CCCCC1[NH2+]Cc2ccccc2OC
InChi [?]:
InChI=1/C15H23NO/c1-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17-2/h4,6,8,10,12,14,16H,3,5,7,9,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,4,12,5,13,3,11,6,14,9,2,10,7,15,8,16/rA:17cCCCCCCCN+CCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24NO+
All Atoms:41
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:-18.6695
Area:428.386
Solvation:-29.3792
Coulombic:21.4937
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.357
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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