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Chemical ID: 7061742

Chemical ID:

7061742

Name [?]:

N-isopropyl-N-[3-(4-tert-butylphenoxy)propyl]propan-2-amine

SMILES [?]:

CC(C)N(CCCOc1ccc(cc1)C(C)(C)C)C(C)C

InChi [?]:

InChI=1/C19H33NO/c1-15(2)20(16(3)4)13-8-14-21-18-11-9-17(10-12-18)19(5,6)7/h9-12,15-16H,8,13-14H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,3,20,21,16,17,18,6,11,13,10,14,5,7,2,19,12,9,15,4,8/E:(1,2,3,4)(5,6,7)(9,10)(11,12)(15,16)/rA:21nCCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s15;s15;s4;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₃NO
All Atoms:	54
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0901
Area:	534.486
Solvation:	-2.27207
Coulombic:	-14.9185

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	291.471
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.73
LogP (Chemaxon):	4.96

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