N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline

C18H22F2N2 — CID 84753702

IUPACN,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
SMILESCCN(CC)c1cc(CNCc2ccccc2F)ccc1F
InChIInChI=1S/C18H22F2N2/c1-3-22(4-2)18-11-14(9-10-17(18)20)12-21-13-15-7-5-6-8-16(15)19/h5-11,21H,3-4,12-13H2,1-2H3
InChIKeyXGXUYETZZRSAIQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.10
Rot. Bonds7

About N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline

N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline (PubChem CID 84753702) has the molecular formula C18H22F2N2 and a molecular weight of 304.38 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
PubChem CID84753702
Molecular FormulaC18H22F2N2
Molecular Weight304.38 g/mol
Exact Mass304.18
IUPAC NameN,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
SMILESCCN(CC)c1cc(CNCc2ccccc2F)ccc1F
InChIInChI=1S/C18H22F2N2/c1-3-22(4-2)18-11-14(9-10-17(18)20)12-21-13-15-7-5-6-8-16(15)19/h5-11,21H,3-4,12-13H2,1-2H3
InChIKeyXGXUYETZZRSAIQ-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753512
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28617291
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
CID 115603020

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline?
The IUPAC name of N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline (CID 84753702) is N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline?
The canonical SMILES for N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline is CCN(CC)c1cc(CNCc2ccccc2F)ccc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline?
The InChIKey is XGXUYETZZRSAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2/c1-3-22(4-2)18-11-14(9-10-17(18)20)12-21-13-15-7-5-6-8-16(15)19/h5-11,21H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline?
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline has a molecular weight of 304.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline is sourced from PubChem (CID 84753702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).