4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C13H19ClFN3 — CID 105383617

IUPAC4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCCC1)c1nccc(CCl)c1F
InChIInChI=1S/C13H19ClFN3/c1-17(8-9-18-6-2-3-7-18)13-12(15)11(10-14)4-5-16-13/h4-5H,2-3,6-10H2,1H3
InChIKeyIEOXJCMWJJMWDQ-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.49
Rot. Bonds5

About 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 105383617) 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-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID105383617
Molecular FormulaC13H19ClFN3
Molecular Weight271.77 g/mol
Exact Mass271.13
IUPAC Name4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCCC1)c1nccc(CCl)c1F
InChIInChI=1S/C13H19ClFN3/c1-17(8-9-18-6-2-3-7-18)13-12(15)11(10-14)4-5-16-13/h4-5H,2-3,6-10H2,1H3
InChIKeyIEOXJCMWJJMWDQ-UHFFFAOYSA-N
XLogP2.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-propylpyridin-2-amine
CID 105383465
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
CID 63210825
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 63206971
4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
CID 105383478
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 105383617) is 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is CN(CCN1CCCC1)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is IEOXJCMWJJMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3/c1-17(8-9-18-6-2-3-7-18)13-12(15)11(10-14)4-5-16-13/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 271.77 g/mol, XLogP of 2.49, 5 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-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 105383617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).