3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine

C16H19ClFN3 — CID 114886614

IUPAC3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1cc(Cl)ccc1F)c1c(C)ccnc1N
InChIInChI=1S/C16H19ClFN3/c1-3-7-20-15(12-9-11(17)4-5-13(12)18)14-10(2)6-8-21-16(14)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21)
InChIKeyDWFLNFIMRNCUIP-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds5

About 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine

3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine (PubChem CID 114886614) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
PubChem CID114886614
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1cc(Cl)ccc1F)c1c(C)ccnc1N
InChIInChI=1S/C16H19ClFN3/c1-3-7-20-15(12-9-11(17)4-5-13(12)18)14-10(2)6-8-21-16(14)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21)
InChIKeyDWFLNFIMRNCUIP-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

3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 114886010
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
CID 65360572
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 107111572
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine (CID 114886614) is 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine is CCCNC(c1cc(Cl)ccc1F)c1c(C)ccnc1N.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The InChIKey is DWFLNFIMRNCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-3-7-20-15(12-9-11(17)4-5-13(12)18)14-10(2)6-8-21-16(14)19/h4-6,8-9,15,20H,3,7H2,1-2H3,(H2,19,21).
What are the key properties of 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine?
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-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 3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114886614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).