[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine

C16H17F2NO2 — CID 63077707

IUPAC[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccccc1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-7-20-14-5-3-4-6-15(14)21-16-12(17)8-11(10-19)9-13(16)18/h3-6,8-9H,2,7,10,19H2,1H3
InChIKeyMRTOHJKNPRXHFK-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.00
Rot. Bonds6

About [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine

[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine (PubChem CID 63077707) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
PubChem CID63077707
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccccc1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-7-20-14-5-3-4-6-15(14)21-16-12(17)8-11(10-19)9-13(16)18/h3-6,8-9H,2,7,10,19H2,1H3
InChIKeyMRTOHJKNPRXHFK-UHFFFAOYSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
CID 107542475
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine (CID 63077707) is [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine is CCCOc1ccccc1Oc1c(F)cc(CN)cc1F.
What is the InChIKey of [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine?
The InChIKey is MRTOHJKNPRXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-7-20-14-5-3-4-6-15(14)21-16-12(17)8-11(10-19)9-13(16)18/h3-6,8-9H,2,7,10,19H2,1H3.
What are the key properties of [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine?
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine has a molecular weight of 293.31 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 63077707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).