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Chemical ID: 7105211

Chemical ID:

7105211

Name [?]:

N,N-diethyl-4-[(4-fluorophenyl)methylaminomethyl]aniline

SMILES [?]:

CCN(CC)c1ccc(cc1)CNCc2ccc(cc2)F

InChi [?]:

InChI=1/C18H23FN2/c1-3-21(4-2)18-11-7-16(8-12-18)14-20-13-15-5-9-17(19)10-6-15/h5-12,20H,3-4,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,16,20,8,10,17,19,7,11,14,12,15,9,18,6,21,13,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:21nCCNCCCCCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃FN₂
All Atoms:	44
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1876
Area:	515.807
Solvation:	-2.70754
Coulombic:	-20.9335

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	286.387
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.46
LogP (Chemaxon):	4.44

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