[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine

C13H15ClFNO — CID 116874811

IUPAC[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
SMILESNCC1(C2(c3cc(Cl)ccc3F)COC2)CC1
InChIInChI=1S/C13H15ClFNO/c14-9-1-2-11(15)10(5-9)13(7-17-8-13)12(6-16)3-4-12/h1-2,5H,3-4,6-8,16H2
InChIKeyBGOHSRVDTOCZHA-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.49
Rot. Bonds3

About [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine

[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine (PubChem CID 116874811) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
PubChem CID116874811
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
SMILESNCC1(C2(c3cc(Cl)ccc3F)COC2)CC1
InChIInChI=1S/C13H15ClFNO/c14-9-1-2-11(15)10(5-9)13(7-17-8-13)12(6-16)3-4-12/h1-2,5H,3-4,6-8,16H2
InChIKeyBGOHSRVDTOCZHA-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]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-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
CID 116829642
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
CID 116870742
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
CID 116874974
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine (CID 116874811) is [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine is NCC1(C2(c3cc(Cl)ccc3F)COC2)CC1.
What is the InChIKey of [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine?
The InChIKey is BGOHSRVDTOCZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-9-1-2-11(15)10(5-9)13(7-17-8-13)12(6-16)3-4-12/h1-2,5H,3-4,6-8,16H2.
What are the key properties of [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine?
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine has a molecular weight of 255.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116874811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).