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

C16H20BrN3O — CID 106875229

IUPACN'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-12-8-10-19-16(15(12)17)20(11-5-9-18)13-6-3-4-7-14(13)21-2/h3-4,6-8,10H,5,9,11,18H2,1-2H3
InChIKeyIHFCKTBPJGVHBN-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.65
Rot. Bonds6

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

N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 106875229) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID106875229
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-12-8-10-19-16(15(12)17)20(11-5-9-18)13-6-3-4-7-14(13)21-2/h3-4,6-8,10H,5,9,11,18H2,1-2H3
InChIKeyIHFCKTBPJGVHBN-UHFFFAOYSA-N
XLogP3.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 79712264
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 106875227
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 66340512
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549238
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (CID 106875229) is N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1N(CCCN)c1nccc(C)c1Br.
What is the InChIKey of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is IHFCKTBPJGVHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-12-8-10-19-16(15(12)17)20(11-5-9-18)13-6-3-4-7-14(13)21-2/h3-4,6-8,10H,5,9,11,18H2,1-2H3.
What are the key properties of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 350.26 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 106875229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).