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Chemical ID: 7061668

Chemical ID:

7061668

Name [?]:

N-isopropyl-N-[2-(4-tert-butylphenoxy)ethyl]propan-2-amine

SMILES [?]:

CC(C)N(CCOc1ccc(cc1)C(C)(C)C)C(C)C

InChi [?]:

InChI=1/C18H31NO/c1-14(2)19(15(3)4)12-13-20-17-10-8-16(9-11-17)18(5,6)7/h8-11,14-15H,12-13H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,3,19,20,15,16,17,10,12,9,13,5,6,2,18,11,8,14,4,7/E:(1,2,3,4)(5,6,7)(8,9)(10,11)(14,15)/rA:20nCCCNCCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;s4;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₃₁NO
All Atoms:	51
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4584
Area:	498.54
Solvation:	-2.00511
Coulombic:	-15.0126

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.445
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.37
LogP (Chemaxon):	4.91

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value