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Chemical ID: 7106844

Chemical ID:

7106844

Name [?]:

2-[(2,4-dimethoxyphenyl)methylamino]-1-phenyl-ethanol

SMILES [?]:

COc1ccc(c(c1)OC)CNCC(c2ccccc2)O

InChi [?]:

InChI=1/C17H21NO3/c1-20-15-9-8-14(17(10-15)21-2)11-18-12-16(19)13-6-4-3-5-7-13/h3-10,16,18-19H,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,18,17,19,16,20,5,4,8,11,13,15,6,3,14,7,12,21,2,9/E:(4,5)(6,7)/rA:21cCOCCCCCCOCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₃
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	7.79165
Area:	512.318
Solvation:	-5.0163
Coulombic:	-41.7682

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.354
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.47
LogP (Chemaxon):	2.47

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