N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine

C16H23ClFNO — CID 102615898

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cc(F)ccc2Cl)CCO1
InChIInChI=1S/C16H23ClFNO/c1-3-16(4-2)10-14(7-8-20-16)19-11-12-9-13(18)5-6-15(12)17/h5-6,9,14,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyPUWWVUADHIGWFO-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.31
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine (PubChem CID 102615898) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
PubChem CID102615898
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cc(F)ccc2Cl)CCO1
InChIInChI=1S/C16H23ClFNO/c1-3-16(4-2)10-14(7-8-20-16)19-11-12-9-13(18)5-6-15(12)17/h5-6,9,14,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyPUWWVUADHIGWFO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
CID 114556046
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine (CID 102615898) is N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCc2cc(F)ccc2Cl)CCO1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine?
The InChIKey is PUWWVUADHIGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-16(4-2)10-14(7-8-20-16)19-11-12-9-13(18)5-6-15(12)17/h5-6,9,14,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine has a molecular weight of 299.82 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 102615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).