5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine

C15H20ClN3O — CID 62891483

IUPAC5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)Cc2ccco2)n1
InChIInChI=1S/C15H20ClN3O/c1-3-8-17-15-7-6-13(16)14(18-15)11-19(2)10-12-5-4-9-20-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,18)
InChIKeyMPYAVRLNWMKLQW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.78
Rot. Bonds7

About 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine

5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62891483) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62891483
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)Cc2ccco2)n1
InChIInChI=1S/C15H20ClN3O/c1-3-8-17-15-7-6-13(16)14(18-15)11-19(2)10-12-5-4-9-20-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,18)
InChIKeyMPYAVRLNWMKLQW-UHFFFAOYSA-N
XLogP3.78
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 112664254
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
CID 62890423
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917976
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
5-chloro-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 82743738
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine (CID 62891483) is 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN(C)Cc2ccco2)n1.
What is the InChIKey of 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is MPYAVRLNWMKLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-8-17-15-7-6-13(16)14(18-15)11-19(2)10-12-5-4-9-20-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine?
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).