N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C12H14ClFN2 — CID 79508702

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESFc1ccc(CNC2=NCCCC2)cc1Cl
InChIInChI=1S/C12H14ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h4-5,7H,1-3,6,8H2,(H,15,16)
InChIKeyLABPSCBNVJVQLY-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.15
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508702) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508702
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESFc1ccc(CNC2=NCCCC2)cc1Cl
InChIInChI=1S/C12H14ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h4-5,7H,1-3,6,8H2,(H,15,16)
InChIKeyLABPSCBNVJVQLY-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79508702) is N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is Fc1ccc(CNC2=NCCCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is LABPSCBNVJVQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h4-5,7H,1-3,6,8H2,(H,15,16).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 240.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).