1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine

C13H17FN2 — CID 84735247

IUPAC1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(C(c2cccc(F)c2)N2CCC2)CC1
InChIInChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2
InChIKeyKKUOVDSYJGLWME-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.06
Rot. Bonds3

About 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine

1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 84735247) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID84735247
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(C(c2cccc(F)c2)N2CCC2)CC1
InChIInChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2
InChIKeyKKUOVDSYJGLWME-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-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

(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 63216311
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 4296958
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
2-[1-(3-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986500
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
CID 176647450
1-[amino-(3-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 116943746

Frequently Asked Questions

What is the IUPAC name of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine (CID 84735247) is 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine is NC1(C(c2cccc(F)c2)N2CCC2)CC1.
What is the InChIKey of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is KKUOVDSYJGLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2.
What are the key properties of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84735247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).