5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C15H17ClFN3 — CID 114925273

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)Cc2cccc(F)c2)ncc1Cl
InChIInChI=1S/C15H17ClFN3/c1-18-8-12-7-15(19-9-14(12)16)20(2)10-11-4-3-5-13(17)6-11/h3-7,9,18H,8,10H2,1-2H3
InChIKeyRWHRFDNVALJILY-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.23
Rot. Bonds5

About 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 114925273) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID114925273
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)Cc2cccc(F)c2)ncc1Cl
InChIInChI=1S/C15H17ClFN3/c1-18-8-12-7-15(19-9-14(12)16)20(2)10-11-4-3-5-13(17)6-11/h3-7,9,18H,8,10H2,1-2H3
InChIKeyRWHRFDNVALJILY-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260
2-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)aniline
CID 81149545
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 114926024
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62477954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 114925273) is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1cc(N(C)Cc2cccc(F)c2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is RWHRFDNVALJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-18-8-12-7-15(19-9-14(12)16)20(2)10-11-4-3-5-13(17)6-11/h3-7,9,18H,8,10H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114925273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).