Chemical ID: 6046964

CC1(CCCCC1)COc2ccc(cc2)N
Chemical ID:
6046964
Name [?]:
4-[(1-methylcyclohexyl)methoxy]aniline
SMILES [?]:
CC1(CCCCC1)COc2ccc(cc2)N
InChi [?]:
InChI=1/C14H21NO/c1-14(9-3-2-4-10-14)11-16-13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,12,14,11,15,3,7,8,13,10,2,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCCCCCCCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s2;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.31103
Area:407.155
Solvation:-1.86784
Coulombic:-25.8678
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.96
LogP (Chemaxon):3.42

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Descriptor Annotations

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