4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine

C12H15ClFNO — CID 102617544

IUPAC4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(F)ccc2Cl)CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-11-2-1-10(14)7-9(11)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKeyYVIWYTUIOWLYSA-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.53
Rot. Bonds2

About 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine

4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine (PubChem CID 102617544) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
PubChem CID102617544
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cc(F)ccc2Cl)CCOCC1
InChIInChI=1S/C12H15ClFNO/c13-11-2-1-10(14)7-9(11)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKeyYVIWYTUIOWLYSA-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
4-[(2,5-difluorophenyl)methyl]oxan-4-amine
CID 63220413
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
CID 65317527
4-[(3-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 103039274
N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 102619921

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine (CID 102617544) is 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine is NC1(Cc2cc(F)ccc2Cl)CCOCC1.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is YVIWYTUIOWLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-2-1-10(14)7-9(11)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine?
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 243.71 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 102617544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).