2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine

C14H19F2N — CID 82823061

IUPAC2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CC1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H19F2N/c1-3-17-12(8-10-5-6-10)13-11(15)7-4-9(2)14(13)16/h4,7,10,12,17H,3,5-6,8H2,1-2H3
InChIKeyIXRMTXSBYVYTOJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.72
Rot. Bonds5

About 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine

2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine (PubChem CID 82823061) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
PubChem CID82823061
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CC1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H19F2N/c1-3-17-12(8-10-5-6-10)13-11(15)7-4-9(2)14(13)16/h4,7,10,12,17H,3,5-6,8H2,1-2H3
InChIKeyIXRMTXSBYVYTOJ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846782
[2-cyclobutyl-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105310002
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine (CID 82823061) is 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine is CCNC(CC1CC1)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine?
The InChIKey is IXRMTXSBYVYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-17-12(8-10-5-6-10)13-11(15)7-4-9(2)14(13)16/h4,7,10,12,17H,3,5-6,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine?
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82823061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).