trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine

C10H13FN2 — CID 131008593

IUPACtrans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1cncc(F)c1
InChIInChI=1S/C10H13FN2/c1-7-2-10(7)13-5-8-3-9(11)6-12-4-8/h3-4,6-7,10,13H,2,5H2,1H3/t7-,10-/m1/s1
InChIKeyGSNXOHDHTRXMIP-GMSGAONNSA-N
MW180.23 g/mol
LogP1.72
Rot. Bonds3

About trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine

trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 131008593) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID131008593
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nametrans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1cncc(F)c1
InChIInChI=1S/C10H13FN2/c1-7-2-10(7)13-5-8-3-9(11)6-12-4-8/h3-4,6-7,10,13H,2,5H2,1H3/t7-,10-/m1/s1
InChIKeyGSNXOHDHTRXMIP-GMSGAONNSA-N
XLogP1.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104953424
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
N-[(5-fluoro-3-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 126787216
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
CID 64666695
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine (CID 131008593) is trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine is C[C@@H]1C[C@H]1NCc1cncc(F)c1.
What is the InChIKey of trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is GSNXOHDHTRXMIP-GMSGAONNSA-N. The full InChI is InChI=1S/C10H13FN2/c1-7-2-10(7)13-5-8-3-9(11)6-12-4-8/h3-4,6-7,10,13H,2,5H2,1H3/t7-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 180.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 131008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).