1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane

C10H15F2NO — CID 169145011

IUPAC1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane
SMILESCC.CNCOc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO.C2H6/c1-11-5-12-8-3-6(9)2-7(10)4-8;1-2/h2-4,11H,5H2,1H3;1-2H3
InChIKeyFMSBLMFUNXKSQO-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.55
Rot. Bonds3

About 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane

1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane (PubChem CID 169145011) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane
PubChem CID169145011
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane
SMILESCC.CNCOc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO.C2H6/c1-11-5-12-8-3-6(9)2-7(10)4-8;1-2/h2-4,11H,5H2,1H3;1-2H3
InChIKeyFMSBLMFUNXKSQO-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
1-(4-chlorobutoxy)-3,5-difluorobenzene
CID 62785225
2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane (CID 169145011) is 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane is CC.CNCOc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane?
The InChIKey is FMSBLMFUNXKSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO.C2H6/c1-11-5-12-8-3-6(9)2-7(10)4-8;1-2/h2-4,11H,5H2,1H3;1-2H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane?
1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane has a molecular weight of 203.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane is sourced from PubChem (CID 169145011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).