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Chemical ID: 4985760

Chemical ID:

4985760

Name [?]:

N-[1-(4-methoxyphenyl)-2-phenyl-ethyl]aniline

SMILES [?]:

COc1ccc(cc1)C(Cc2ccccc2)Nc3ccccc3

InChi [?]:

InChI=1/C21H21NO/c1-23-20-14-12-18(13-15-20)21(16-17-8-4-2-5-9-17)22-19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,21,13,15,20,22,12,16,19,23,5,7,4,8,10,11,6,18,3,9,17,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:23cCOCCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁NO
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.50974
Area:	492.524
Solvation:	-2.80335
Coulombic:	-23.0686

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	303.398
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.26
LogP (Chemaxon):	5.24

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