2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine

C14H14ClFN2 — CID 114830495

IUPAC2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
SMILESCC(Cc1cccc(F)c1)Nc1ccnc(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-10(7-11-3-2-4-12(16)8-11)18-13-5-6-17-14(15)9-13/h2-6,8-10H,7H2,1H3,(H,17,18)
InChIKeyTWOOGCJDOQRUIF-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine

2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine (PubChem CID 114830495) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
PubChem CID114830495
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
SMILESCC(Cc1cccc(F)c1)Nc1ccnc(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-10(7-11-3-2-4-12(16)8-11)18-13-5-6-17-14(15)9-13/h2-6,8-10H,7H2,1H3,(H,17,18)
InChIKeyTWOOGCJDOQRUIF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452
N-[1-(3-fluorophenyl)propan-2-yl]pyrido[2,3-b]pyrazin-6-amine
CID 133307120
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
CID 61219333
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
CID 115729372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine (CID 114830495) is 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine is CC(Cc1cccc(F)c1)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine?
The InChIKey is TWOOGCJDOQRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(7-11-3-2-4-12(16)8-11)18-13-5-6-17-14(15)9-13/h2-6,8-10H,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine?
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine has a molecular weight of 264.73 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine is sourced from PubChem (CID 114830495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).