azetidin-3-yl-(3,4-difluorophenyl)methanamine

C10H12F2N2 — CID 116935312

IUPACazetidin-3-yl-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1CNC1
InChIInChI=1S/C10H12F2N2/c11-8-2-1-6(3-9(8)12)10(13)7-4-14-5-7/h1-3,7,10,14H,4-5,13H2
InChIKeyMMBYQCFBVGFBAX-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.18
Rot. Bonds2

About azetidin-3-yl-(3,4-difluorophenyl)methanamine

azetidin-3-yl-(3,4-difluorophenyl)methanamine (PubChem CID 116935312) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is azetidin-3-yl-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(3,4-difluorophenyl)methanamine
PubChem CID116935312
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameazetidin-3-yl-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1CNC1
InChIInChI=1S/C10H12F2N2/c11-8-2-1-6(3-9(8)12)10(13)7-4-14-5-7/h1-3,7,10,14H,4-5,13H2
InChIKeyMMBYQCFBVGFBAX-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azetidin-3-yl-(3,4-difluorophenyl)methanamine 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

(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3,4-difluorophenyl)methanamine?
The IUPAC name of azetidin-3-yl-(3,4-difluorophenyl)methanamine (CID 116935312) is azetidin-3-yl-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(3,4-difluorophenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)C1CNC1.
What is the InChIKey of azetidin-3-yl-(3,4-difluorophenyl)methanamine?
The InChIKey is MMBYQCFBVGFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-8-2-1-6(3-9(8)12)10(13)7-4-14-5-7/h1-3,7,10,14H,4-5,13H2.
What are the key properties of azetidin-3-yl-(3,4-difluorophenyl)methanamine?
azetidin-3-yl-(3,4-difluorophenyl)methanamine has a molecular weight of 198.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 116935312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).