4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine

C10H14ClFN2 — CID 105383465

IUPAC4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1nccc(CCl)c1F
InChIInChI=1S/C10H14ClFN2/c1-3-6-14(2)10-9(12)8(7-11)4-5-13-10/h4-5H,3,6-7H2,1-2H3
InChIKeyUGAFMZGWTDLIRN-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.81
Rot. Bonds4

About 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine

4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine (PubChem CID 105383465) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
PubChem CID105383465
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1nccc(CCl)c1F
InChIInChI=1S/C10H14ClFN2/c1-3-6-14(2)10-9(12)8(7-11)4-5-13-10/h4-5H,3,6-7H2,1-2H3
InChIKeyUGAFMZGWTDLIRN-UHFFFAOYSA-N
XLogP2.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
N-butyl-4-(chloromethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105383645
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
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)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine (CID 105383465) is 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine is CCCN(C)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine?
The InChIKey is UGAFMZGWTDLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-3-6-14(2)10-9(12)8(7-11)4-5-13-10/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine?
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine has a molecular weight of 216.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 105383465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).