N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine

C14H17ClFN3S — CID 83125936

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(F)cn1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H17ClFN3S/c1-19(9-11-3-5-14(15)20-11)7-6-12(17)13-4-2-10(16)8-18-13/h2-5,8,12H,6-7,9,17H2,1H3
InChIKeyCHUGMFYVMSULBS-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.46
Rot. Bonds6

About N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine

N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (PubChem CID 83125936) has the molecular formula C14H17ClFN3S and a molecular weight of 313.83 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
PubChem CID83125936
Molecular FormulaC14H17ClFN3S
Molecular Weight313.83 g/mol
Exact Mass313.08
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(F)cn1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H17ClFN3S/c1-19(9-11-3-5-14(15)20-11)7-6-12(17)13-4-2-10(16)8-18-13/h2-5,8,12H,6-7,9,17H2,1H3
InChIKeyCHUGMFYVMSULBS-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 83126860
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (CID 83125936) is N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(F)cn1)Cc1ccc(Cl)s1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The InChIKey is CHUGMFYVMSULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3S/c1-19(9-11-3-5-14(15)20-11)7-6-12(17)13-4-2-10(16)8-18-13/h2-5,8,12H,6-7,9,17H2,1H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine has a molecular weight of 313.83 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 83125936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).