5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine

C16H18FN3 — CID 169284588

IUPAC5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H18FN3/c17-14-4-1-12(2-5-14)9-19-16-8-3-13(11-20-16)10-18-15-6-7-15/h1-5,8,11,15,18H,6-7,9-10H2,(H,19,20)
InChIKeyUMUPUTUOXWMLHA-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.08
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine

5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 169284588) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID169284588
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H18FN3/c17-14-4-1-12(2-5-14)9-19-16-8-3-13(11-20-16)10-18-15-6-7-15/h1-5,8,11,15,18H,6-7,9-10H2,(H,19,20)
InChIKeyUMUPUTUOXWMLHA-UHFFFAOYSA-N
XLogP3.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine (CID 169284588) is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ccc(CNC3CC3)cn2)cc1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is UMUPUTUOXWMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-14-4-1-12(2-5-14)9-19-16-8-3-13(11-20-16)10-18-15-6-7-15/h1-5,8,11,15,18H,6-7,9-10H2,(H,19,20).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 169284588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).