N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

C15H18FN3O — CID 62734340

IUPACN'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncccc2F)cc1
InChIInChI=1S/C15H18FN3O/c1-20-13-7-5-12(6-8-13)19(11-3-9-17)15-14(16)4-2-10-18-15/h2,4-8,10H,3,9,11,17H2,1H3
InChIKeyADRRWEVSMHTYNL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.72
Rot. Bonds6

About N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 62734340) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID62734340
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncccc2F)cc1
InChIInChI=1S/C15H18FN3O/c1-20-13-7-5-12(6-8-13)19(11-3-9-17)15-14(16)4-2-10-18-15/h2,4-8,10H,3,9,11,17H2,1H3
InChIKeyADRRWEVSMHTYNL-UHFFFAOYSA-N
XLogP2.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 106875227
N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 60870620
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
CID 63590194
4-[N-(3-aminopropyl)-4-methoxyanilino]-5-iodo-1H-pyrimidin-6-one
CID 136972514
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
CID 83063866
3-[N-(3-aminopropyl)-4-fluoroanilino]-1H-pyrazin-2-one
CID 114570610

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (CID 62734340) is N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is COc1ccc(N(CCCN)c2ncccc2F)cc1.
What is the InChIKey of N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is ADRRWEVSMHTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-20-13-7-5-12(6-8-13)19(11-3-9-17)15-14(16)4-2-10-18-15/h2,4-8,10H,3,9,11,17H2,1H3.
What are the key properties of N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 62734340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).