3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine

C14H15ClFN3 — CID 64714351

IUPAC3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFN3/c1-8-6-10(14(17)19-7-8)13(18-2)9-4-3-5-11(15)12(9)16/h3-7,13,18H,1-2H3,(H2,17,19)
InChIKeySCWXJMQHTTUGDU-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.07
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine

3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 64714351) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
PubChem CID64714351
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFN3/c1-8-6-10(14(17)19-7-8)13(18-2)9-4-3-5-11(15)12(9)16/h3-7,13,18H,1-2H3,(H2,17,19)
InChIKeySCWXJMQHTTUGDU-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 103444339
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105264497
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(3-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 81266470
5-methyl-3-[methylamino-(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
CID 107920733
3-[(2-fluorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105216979
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
3-[(3-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105194796

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine (CID 64714351) is 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine is CNC(c1cc(C)cnc1N)c1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is SCWXJMQHTTUGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8-6-10(14(17)19-7-8)13(18-2)9-4-3-5-11(15)12(9)16/h3-7,13,18H,1-2H3,(H2,17,19).
What are the key properties of 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 64714351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).