N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

C13H15ClF3NO2 — CID 66670220

IUPACN-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)Oc1cc(CNC2CCOCC2)ccc1Cl
InChIInChI=1S/C13H15ClF3NO2/c14-11-2-1-9(7-12(11)20-13(15,16)17)8-18-10-3-5-19-6-4-10/h1-2,7,10,18H,3-6,8H2
InChIKeyUOHJMTGVRFPKFH-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.51
Rot. Bonds4

About N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (PubChem CID 66670220) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
PubChem CID66670220
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC NameN-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)Oc1cc(CNC2CCOCC2)ccc1Cl
InChIInChI=1S/C13H15ClF3NO2/c14-11-2-1-9(7-12(11)20-13(15,16)17)8-18-10-3-5-19-6-4-10/h1-2,7,10,18H,3-6,8H2
InChIKeyUOHJMTGVRFPKFH-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-2-oxobutanamide
CID 159882631
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
N-[[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159829

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (CID 66670220) is N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is FC(F)(F)Oc1cc(CNC2CCOCC2)ccc1Cl.
What is the InChIKey of N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The InChIKey is UOHJMTGVRFPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c14-11-2-1-9(7-12(11)20-13(15,16)17)8-18-10-3-5-19-6-4-10/h1-2,7,10,18H,3-6,8H2.
What are the key properties of N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine has a molecular weight of 309.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 66670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).