5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine

C16H19ClFN3 — CID 107111572

IUPAC5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cc(Cl)cnc1N)c1cccc(C)c1F
InChIInChI=1S/C16H19ClFN3/c1-3-7-20-15(12-6-4-5-10(2)14(12)18)13-8-11(17)9-21-16(13)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21)
InChIKeyDOFDJDIQORTGCN-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine

5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine (PubChem CID 107111572) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine
PubChem CID107111572
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cc(Cl)cnc1N)c1cccc(C)c1F
InChIInChI=1S/C16H19ClFN3/c1-3-7-20-15(12-6-4-5-10(2)14(12)18)13-8-11(17)9-21-16(13)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21)
InChIKeyDOFDJDIQORTGCN-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 79783902
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine (CID 107111572) is 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine is CCCNC(c1cc(Cl)cnc1N)c1cccc(C)c1F.
What is the InChIKey of 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine?
The InChIKey is DOFDJDIQORTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-3-7-20-15(12-6-4-5-10(2)14(12)18)13-8-11(17)9-21-16(13)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21).
What are the key properties of 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine?
5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine has a molecular weight of 307.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 107111572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).