5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine

C16H19ClFN3 — CID 62292842

IUPAC5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCCNCc1nc(N(C)Cc2ccccc2F)ccc1Cl
InChIInChI=1S/C16H19ClFN3/c1-3-19-10-15-13(17)8-9-16(20-15)21(2)11-12-6-4-5-7-14(12)18/h4-9,19H,3,10-11H2,1-2H3
InChIKeyPSLOKPBLZVSRFG-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.62
Rot. Bonds6

About 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine

5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 62292842) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID62292842
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCCNCc1nc(N(C)Cc2ccccc2F)ccc1Cl
InChIInChI=1S/C16H19ClFN3/c1-3-19-10-15-13(17)8-9-16(20-15)21(2)11-12-6-4-5-7-14(12)18/h4-9,19H,3,10-11H2,1-2H3
InChIKeyPSLOKPBLZVSRFG-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283603
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
[6-[(2-bromophenyl)methyl-methylamino]-3-chloro-2-pyridinyl]methanol
CID 61416679
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
5-chloro-N-cyclohexyl-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285473
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62292980
5-chloro-N-(1-cyclopropylethyl)-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62282227
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylaminomethyl)pyridin-2-amine
CID 63938138
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
CID 63489637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine (CID 62292842) is 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine is CCNCc1nc(N(C)Cc2ccccc2F)ccc1Cl.
What is the InChIKey of 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is PSLOKPBLZVSRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-3-19-10-15-13(17)8-9-16(20-15)21(2)11-12-6-4-5-7-14(12)18/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine?
5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 307.80 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62292842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).