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Chemical ID: 5508581

Chemical ID:

5508581

Name [?]:

1-(1-ethylpyrrolidin-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]methanamine

SMILES [?]:

CCN1CCCC1CNCc2cccc(c2OCc3ccccc3F)OC

InChi [?]:

InChI=1/C22H29FN2O2/c1-3-25-13-7-10-19(25)15-24-14-17-9-6-12-21(26-2)22(17)27-16-18-8-4-5-11-20(18)23/h4-6,8-9,11-12,19,24H,3,7,10,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,2,21,22,13,5,20,12,6,23,14,4,10,8,18,11,19,7,24,15,16,25,9,3,26,17/rA:27cCCNCCCCCNCCCCCCCOCCCCCCCFOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;s15;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉FN₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	2

ZAP Information [?]

Total:	10.2083
Area:	593.144
Solvation:	-4.62032
Coulombic:	-35.2442

Bond Count [?]

All:	29
Single:	23
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	372.476
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.79
LogP (Chemaxon):	3.7

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