N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine

C11H13Cl2F2NO — CID 54939665

IUPACN-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C11H13Cl2F2NO/c1-2-16-5-7-3-8(12)4-9(13)11(7)17-6-10(14)15/h3-4,10,16H,2,5-6H2,1H3
InChIKeyKFZXOVZMYVGCBE-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.75
Rot. Bonds6

About N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine

N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine (PubChem CID 54939665) has the molecular formula C11H13Cl2F2NO and a molecular weight of 284.13 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
PubChem CID54939665
Molecular FormulaC11H13Cl2F2NO
Molecular Weight284.13 g/mol
Exact Mass283.03
IUPAC NameN-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C11H13Cl2F2NO/c1-2-16-5-7-3-8(12)4-9(13)11(7)17-6-10(14)15/h3-4,10,16H,2,5-6H2,1H3
InChIKeyKFZXOVZMYVGCBE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
N-[[3,5-dichloro-2-(3-ethylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 65094121
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
CID 63056123
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine (CID 54939665) is N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCC(F)F.
What is the InChIKey of N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
The InChIKey is KFZXOVZMYVGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2NO/c1-2-16-5-7-3-8(12)4-9(13)11(7)17-6-10(14)15/h3-4,10,16H,2,5-6H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine?
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54939665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).