N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine

C16H18F2N2 — CID 62645059

IUPACN'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-20(15-4-2-3-14(18)11-15)10-9-16(19)12-5-7-13(17)8-6-12/h2-8,11,16H,9-10,19H2,1H3
InChIKeyYGBCHFXGHBUSQQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.49
Rot. Bonds5

About N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62645059) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID62645059
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H18F2N2/c1-20(15-4-2-3-14(18)11-15)10-9-16(19)12-5-7-13(17)8-6-12/h2-8,11,16H,9-10,19H2,1H3
InChIKeyYGBCHFXGHBUSQQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 62617468

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 62645059) is N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is YGBCHFXGHBUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(15-4-2-3-14(18)11-15)10-9-16(19)12-5-7-13(17)8-6-12/h2-8,11,16H,9-10,19H2,1H3.
What are the key properties of N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62645059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).