N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine

C14H18ClF2NO — CID 83081632

IUPACN-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2c(F)cc(F)cc2Cl)CCO1
InChIInChI=1S/C14H18ClF2NO/c1-8(2)13-7-10(3-4-19-13)18-14-11(15)5-9(16)6-12(14)17/h5-6,8,10,13,18H,3-4,7H2,1-2H3
InChIKeyVEMNFIQNKIQLQI-UHFFFAOYSA-N
MW289.75 g/mol
LogP4.23
Rot. Bonds3

About N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine

N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine (PubChem CID 83081632) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine
PubChem CID83081632
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2c(F)cc(F)cc2Cl)CCO1
InChIInChI=1S/C14H18ClF2NO/c1-8(2)13-7-10(3-4-19-13)18-14-11(15)5-9(16)6-12(14)17/h5-6,8,10,13,18H,3-4,7H2,1-2H3
InChIKeyVEMNFIQNKIQLQI-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine (CID 83081632) is N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(Nc2c(F)cc(F)cc2Cl)CCO1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine?
The InChIKey is VEMNFIQNKIQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO/c1-8(2)13-7-10(3-4-19-13)18-14-11(15)5-9(16)6-12(14)17/h5-6,8,10,13,18H,3-4,7H2,1-2H3.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine?
N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine has a molecular weight of 289.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 83081632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).