N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine

C10H11ClFNO — CID 114487622

IUPACN-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
SMILESFc1c(Cl)cccc1CNC1COC1
InChIInChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)4-13-8-5-14-6-8/h1-3,8,13H,4-6H2
InChIKeyPZWMMILSUZANEY-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.97
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine

N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine (PubChem CID 114487622) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
PubChem CID114487622
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
SMILESFc1c(Cl)cccc1CNC1COC1
InChIInChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)4-13-8-5-14-6-8/h1-3,8,13H,4-6H2
InChIKeyPZWMMILSUZANEY-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005
N-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86779123
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine (CID 114487622) is N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine is Fc1c(Cl)cccc1CNC1COC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine?
The InChIKey is PZWMMILSUZANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)4-13-8-5-14-6-8/h1-3,8,13H,4-6H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine?
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine has a molecular weight of 215.66 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine is sourced from PubChem (CID 114487622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).