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Chemical ID: 7412612

Chemical ID:

7412612

Name [?]:

1-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)-N-(tetrahydrofuran-2-ylmethyl)propan-2-amine

SMILES [?]:

CC(CC1(CCOC(C1)(C)C)c2ccccc2)NCC3CCCO3

InChi [?]:

InChI=1/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,10,11,15,14,16,22,13,17,21,5,23,6,3,19,9,2,12,20,8,4,18,24,7/E:(2,3)(5,6)(8,9)/rA:24cCCCCCCOCCCCCCCCCCNCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s8;s4;s12;d13;s14;d15;d12s16;s2;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₃NO₂
All Atoms:	57
Heavy Atoms:	24
Chiral Atoms:	3

ZAP Information [?]

Total:	9.06199
Area:	499.119
Solvation:	-3.41599
Coulombic:	-26.7287

Bond Count [?]

All:	26
Single:	23
Double:	3
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	331.492
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.7
LogP (Chemaxon):	3.16

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