N-[(4-fluorophenyl)methyl]oxetan-3-amine

C10H12FNO — CID 56604676

IUPACN-[(4-fluorophenyl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2COC2)cc1
InChIInChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)5-12-10-6-13-7-10/h1-4,10,12H,5-7H2
InChIKeyKFDVWDVIAVCYNZ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.31
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]oxetan-3-amine

N-[(4-fluorophenyl)methyl]oxetan-3-amine (PubChem CID 56604676) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]oxetan-3-amine
PubChem CID56604676
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-[(4-fluorophenyl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2COC2)cc1
InChIInChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)5-12-10-6-13-7-10/h1-4,10,12H,5-7H2
InChIKeyKFDVWDVIAVCYNZ-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
CID 103874812
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
CID 22319309
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150124
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]oxetan-3-amine (CID 56604676) is N-[(4-fluorophenyl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]oxetan-3-amine is Fc1ccc(CNC2COC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The InChIKey is KFDVWDVIAVCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)5-12-10-6-13-7-10/h1-4,10,12H,5-7H2.
What are the key properties of N-[(4-fluorophenyl)methyl]oxetan-3-amine?
N-[(4-fluorophenyl)methyl]oxetan-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]oxetan-3-amine is sourced from PubChem (CID 56604676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).