N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine

C13H18FNO — CID 115632214

IUPACN-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(F)c(CNC2CCOCC2)c1
InChIInChI=1S/C13H18FNO/c1-10-2-3-13(14)11(8-10)9-15-12-4-6-16-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyFQKSHKBLXARREA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds3

About N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine

N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine (PubChem CID 115632214) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
PubChem CID115632214
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(F)c(CNC2CCOCC2)c1
InChIInChI=1S/C13H18FNO/c1-10-2-3-13(14)11(8-10)9-15-12-4-6-16-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyFQKSHKBLXARREA-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
(R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441340
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441341
(S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441348
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-YL)-amine hydrochloride
CID 2871809
US11214540, Example 66
CID 155139308
3-(4-Fluorophenyl)morpholine
CID 3831072
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine hydrobromide
CID 9549622
N-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-amine
CID 2871810
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine (CID 115632214) is N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine is Cc1ccc(F)c(CNC2CCOCC2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine?
The InChIKey is FQKSHKBLXARREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-2-3-13(14)11(8-10)9-15-12-4-6-16-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine?
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115632214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).