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Chemical ID: 7102473

Chemical ID:

7102473

Name [?]:

N-[(2,3-dimethoxyphenyl)methyl]adamantan-2-amine

SMILES [?]:

COc1cccc(c1OC)CNC2C3CC4CC(C3)CC2C4

InChi [?]:

InChI=1/C19H27NO2/c1-21-17-5-3-4-14(19(17)22-2)11-20-18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,12-13,15-16,18,20H,6-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,5,6,4,17,15,22,19,20,11,16,18,7,14,21,3,13,8,12,2,9/E:(7,8,9,10)(12,13)(15,16)/rA:22nCOCCCCCCOCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s13s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₇NO₂
All Atoms:	49
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.39165
Area:	484.437
Solvation:	-3.71927
Coulombic:	-25.1247

Bond Count [?]

All:	25
Single:	22
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	301.423
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.85
LogP (Chemaxon):	3.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value