6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine

C14H16FN3 — CID 83122861

IUPAC6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
SMILESC[C@@H](N)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3/c1-10(16)14-7-6-13(9-17-14)18(2)12-5-3-4-11(15)8-12/h3-10H,16H2,1-2H3/t10-/m1/s1
InChIKeyIVNMWMIZRLOEHO-SNVBAGLBSA-N
MW245.30 g/mol
LogP3.01
Rot. Bonds3

About 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine

6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine (PubChem CID 83122861) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
PubChem CID83122861
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
SMILESC[C@@H](N)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3/c1-10(16)14-7-6-13(9-17-14)18(2)12-5-3-4-11(15)8-12/h3-10H,16H2,1-2H3/t10-/m1/s1
InChIKeyIVNMWMIZRLOEHO-SNVBAGLBSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine (CID 83122861) is 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine is C[C@@H](N)c1ccc(N(C)c2cccc(F)c2)cn1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine?
The InChIKey is IVNMWMIZRLOEHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(16)14-7-6-13(9-17-14)18(2)12-5-3-4-11(15)8-12/h3-10H,16H2,1-2H3/t10-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine has a molecular weight of 245.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 83122861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).