N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine

C12H17F2NO — CID 79892242

IUPACN-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)c(OC(C)C)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-4-15-7-9-5-10(13)12(11(14)6-9)16-8(2)3/h5-6,8,15H,4,7H2,1-3H3
InChIKeyGMYQYNLMESXOIA-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.86
Rot. Bonds5

About N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 79892242) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID79892242
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)c(OC(C)C)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-4-15-7-9-5-10(13)12(11(14)6-9)16-8(2)3/h5-6,8,15H,4,7H2,1-3H3
InChIKeyGMYQYNLMESXOIA-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
CID 114492190
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
3-[4-(ethylaminomethyl)-2,6-difluorophenyl]sulfanylbutan-2-ol
CID 107772210
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63075624
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine (CID 79892242) is N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine is CCNCc1cc(F)c(OC(C)C)c(F)c1.
What is the InChIKey of N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is GMYQYNLMESXOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-4-15-7-9-5-10(13)12(11(14)6-9)16-8(2)3/h5-6,8,15H,4,7H2,1-3H3.
What are the key properties of N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79892242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).