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

C16H18F2N2 — CID 62645224

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

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

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62645224) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID62645224
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-20(15-8-6-14(18)7-9-15)11-10-16(19)12-2-4-13(17)5-3-12/h2-9,16H,10-11,19H2,1H3
InChIKeyRQWXESINPFDLFP-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

1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
CID 107204561
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
4-fluoro-N-methyl-N-propylaniline
CID 23197529
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970

Frequently Asked Questions

What is the IUPAC name of N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 62645224) is N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is RQWXESINPFDLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(15-8-6-14(18)7-9-15)11-10-16(19)12-2-4-13(17)5-3-12/h2-9,16H,10-11,19H2,1H3.
What are the key properties of N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
N',1-bis(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',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62645224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).