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

C15H16ClFN2 — CID 114830017

IUPAC2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H16ClFN2/c1-10-7-8-18-15(16)14(10)19-11(2)9-12-3-5-13(17)6-4-12/h3-8,11,19H,9H2,1-2H3
InChIKeyUBJYZMIAJZABOR-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.23
Rot. Bonds4

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

2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine (PubChem CID 114830017) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
PubChem CID114830017
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H16ClFN2/c1-10-7-8-18-15(16)14(10)19-11(2)9-12-3-5-13(17)6-4-12/h3-8,11,19H,9H2,1-2H3
InChIKeyUBJYZMIAJZABOR-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine (CID 114830017) is 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine?
The InChIKey is UBJYZMIAJZABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-7-8-18-15(16)14(10)19-11(2)9-12-3-5-13(17)6-4-12/h3-8,11,19H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine?
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine has a molecular weight of 278.76 g/mol, XLogP of 4.23, 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-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine is sourced from PubChem (CID 114830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).