4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine

C11H14ClFN2 — CID 105383476

IUPAC4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(c1nccc(CCl)c1F)C1CC1
InChIInChI=1S/C11H14ClFN2/c1-2-15(9-3-4-9)11-10(13)8(7-12)5-6-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyAPBLDTBQPCTBNC-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.95
Rot. Bonds4

About 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine

4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine (PubChem CID 105383476) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
PubChem CID105383476
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(c1nccc(CCl)c1F)C1CC1
InChIInChI=1S/C11H14ClFN2/c1-2-15(9-3-4-9)11-10(13)8(7-12)5-6-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyAPBLDTBQPCTBNC-UHFFFAOYSA-N
XLogP2.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.95
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-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
CID 105383478
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 61255764
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine (CID 105383476) is 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine is CCN(c1nccc(CCl)c1F)C1CC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine?
The InChIKey is APBLDTBQPCTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-2-15(9-3-4-9)11-10(13)8(7-12)5-6-14-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine?
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 105383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).