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

C12H14Cl2F3NO — CID 64552689

IUPACN-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C12H14Cl2F3NO/c1-2-18-7-8-5-9(13)6-10(14)11(8)19-4-3-12(15,16)17/h5-6,18H,2-4,7H2,1H3
InChIKeyOOOLYUSNDFXJQA-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.43
Rot. Bonds6

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

N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine (PubChem CID 64552689) has the molecular formula C12H14Cl2F3NO and a molecular weight of 316.15 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
PubChem CID64552689
Molecular FormulaC12H14Cl2F3NO
Molecular Weight316.15 g/mol
Exact Mass315.04
IUPAC NameN-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C12H14Cl2F3NO/c1-2-18-7-8-5-9(13)6-10(14)11(8)19-4-3-12(15,16)17/h5-6,18H,2-4,7H2,1H3
InChIKeyOOOLYUSNDFXJQA-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.43
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-ethylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 65094121
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
N-[[3,5-dichloro-2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513158
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
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
1-(bromomethyl)-3,5-dichloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514411
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43515683

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine (CID 64552689) is N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCCC(F)(F)F.
What is the InChIKey of N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine?
The InChIKey is OOOLYUSNDFXJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3NO/c1-2-18-7-8-5-9(13)6-10(14)11(8)19-4-3-12(15,16)17/h5-6,18H,2-4,7H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine?
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine has a molecular weight of 316.15 g/mol, XLogP of 4.43, 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-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 64552689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).