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Chemical ID: 7061689

Chemical ID:

7061689

Name [?]:

N-isobutyl-N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2-methyl-propan-1-amine

SMILES [?]:

Cc1ccc(c(c1)OCCN(CC(C)C)CC(C)C)C(C)C

InChi [?]:

InChI=1/C20H35NO/c1-15(2)13-21(14-16(3)4)10-11-22-20-12-18(7)8-9-19(20)17(5)6/h8-9,12,15-17H,10-11,13-14H2,1-7H3

InChi Info:

AuxInfo=1/0/N:14,15,18,19,21,22,1,3,4,10,9,7,12,16,13,17,20,2,5,6,11,8/E:(1,2,3,4)(5,6)(13,14)(15,16)/rA:22nCCCCCCCOCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s11;s16;s17;s17;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₅NO
All Atoms:	57
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1086
Area:	539.701
Solvation:	-2.38397
Coulombic:	-15.0447

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	305.498
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.58
LogP (Chemaxon):	5.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value