Chemical ID: 7061711

CCCCN(C)CCOc1cc(ccc1C(C)C)C
Chemical ID:
7061711
Name [?]:
N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCOc1cc(ccc1C(C)C)C
InChi [?]:
InChI=1/C17H29NO/c1-6-7-10-18(5)11-12-19-17-13-15(4)8-9-16(17)14(2)3/h8-9,13-14H,6-7,10-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,6,2,3,13,14,4,7,8,11,16,12,15,10,5,9/E:(2,3)/rA:19cCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:48
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.5952
Area:502.602
Solvation:-1.96989
Coulombic:-15.0577
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.77
LogP (Chemaxon):4.64

Name Annotations

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Descriptor Annotations

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