2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline

C17H20F2N2 — CID 63551967

IUPAC2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C17H20F2N2/c1-3-9-20-12-13-7-8-17(16(19)10-13)21(2)15-6-4-5-14(18)11-15/h4-8,10-11,20H,3,9,12H2,1-2H3
InChIKeyDBGSKWRRILAQBJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.23
Rot. Bonds6

About 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline

2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline (PubChem CID 63551967) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
PubChem CID63551967
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C17H20F2N2/c1-3-9-20-12-13-7-8-17(16(19)10-13)21(2)15-6-4-5-14(18)11-15/h4-8,10-11,20H,3,9,12H2,1-2H3
InChIKeyDBGSKWRRILAQBJ-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-fluorophenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114850532
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
CID 106532630
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
CID 171637673
CID 171637673
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline?
The IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline (CID 63551967) is 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline?
The canonical SMILES for 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline?
The InChIKey is DBGSKWRRILAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-9-20-12-13-7-8-17(16(19)10-13)21(2)15-6-4-5-14(18)11-15/h4-8,10-11,20H,3,9,12H2,1-2H3.
What are the key properties of 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline?
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline has a molecular weight of 290.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 63551967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).