4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

C13H19ClFN3 — CID 105383657

IUPAC4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1nccc(CCl)c1F
InChIInChI=1S/C13H19ClFN3/c1-17-7-3-4-11(17)9-18(2)13-12(15)10(8-14)5-6-16-13/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyUJMMAGQYVQXVTC-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.49
Rot. Bonds4

About 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (PubChem CID 105383657) has the molecular formula C13H19ClFN3 and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
PubChem CID105383657
Molecular FormulaC13H19ClFN3
Molecular Weight271.77 g/mol
Exact Mass271.13
IUPAC Name4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1nccc(CCl)c1F
InChIInChI=1S/C13H19ClFN3/c1-17-7-3-4-11(17)9-18(2)13-12(15)10(8-14)5-6-16-13/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyUJMMAGQYVQXVTC-UHFFFAOYSA-N
XLogP2.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 105383617
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
4-(chloromethyl)-2,6-difluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319880
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80509898
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (CID 105383657) is 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is CN(CC1CCCN1C)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The InChIKey is UJMMAGQYVQXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3/c1-17-7-3-4-11(17)9-18(2)13-12(15)10(8-14)5-6-16-13/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine has a molecular weight of 271.77 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 105383657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).