N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine

C14H14ClFN2 — CID 105059589

IUPACN-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine
SMILESCC(CCl)(Nc1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c1-14(10-15,11-5-3-2-4-6-11)18-13-8-7-12(16)9-17-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYZDGWCGZAXRSHT-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.79
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine

N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine (PubChem CID 105059589) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine
PubChem CID105059589
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine
SMILESCC(CCl)(Nc1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c1-14(10-15,11-5-3-2-4-6-11)18-13-8-7-12(16)9-17-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYZDGWCGZAXRSHT-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.79
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-(1-chloro-2-phenylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 105059638
5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 105059599
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
CID 105059555
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
CID 105059408
5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 107875611
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine (CID 105059589) is N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine is CC(CCl)(Nc1ccc(F)cn1)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine?
The InChIKey is YZDGWCGZAXRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-14(10-15,11-5-3-2-4-6-11)18-13-8-7-12(16)9-17-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine?
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine has a molecular weight of 264.73 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 105059589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).