N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine

C11H16ClFN2 — CID 106354222

IUPACN-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine
SMILESCC(C)C(CCCl)Nc1ccc(F)cn1
InChIInChI=1S/C11H16ClFN2/c1-8(2)10(5-6-12)15-11-4-3-9(13)7-14-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15)
InChIKeyXSLOTFZKAPPLTE-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.29
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine

N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine (PubChem CID 106354222) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine
PubChem CID106354222
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine
SMILESCC(C)C(CCCl)Nc1ccc(F)cn1
InChIInChI=1S/C11H16ClFN2/c1-8(2)10(5-6-12)15-11-4-3-9(13)7-14-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15)
InChIKeyXSLOTFZKAPPLTE-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-2-yl)-5-fluoropyridin-2-amine
CID 63836752
N-(1-chloro-4-methylpentan-3-yl)-4-methylpyridin-2-amine
CID 106354306
1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
N-(2,3-dimethylbutyl)-5-fluoropyridin-2-amine
CID 64597559
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
CID 115921450
5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354398
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine (CID 106354222) is N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine is CC(C)C(CCCl)Nc1ccc(F)cn1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine?
The InChIKey is XSLOTFZKAPPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-8(2)10(5-6-12)15-11-4-3-9(13)7-14-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine?
N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine has a molecular weight of 230.71 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 106354222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).