2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine

C14H19F2NO — CID 63936078

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C14H19F2NO/c1-17-14(11-2-4-18-5-3-11)8-10-6-12(15)9-13(16)7-10/h6-7,9,11,14,17H,2-5,8H2,1H3
InChIKeyDPBHJMPCJQKKLA-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 63936078) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID63936078
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C14H19F2NO/c1-17-14(11-2-4-18-5-3-11)8-10-6-12(15)9-13(16)7-10/h6-7,9,11,14,17H,2-5,8H2,1H3
InChIKeyDPBHJMPCJQKKLA-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64776459
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334757
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
[2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105206697
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine (CID 63936078) is 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)C1CCOCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is DPBHJMPCJQKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17-14(11-2-4-18-5-3-11)8-10-6-12(15)9-13(16)7-10/h6-7,9,11,14,17H,2-5,8H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 63936078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).