2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine

C17H27F2N — CID 130285247

IUPAC2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine
SMILESCCCCCC(C)c1ccc(F)c(F)c1CCNCC
InChIInChI=1S/C17H27F2N/c1-4-6-7-8-13(3)14-9-10-16(18)17(19)15(14)11-12-20-5-2/h9-10,13,20H,4-8,11-12H2,1-3H3
InChIKeyUMIJAXWUBYSXPQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.80
Rot. Bonds9

About 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine

2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine (PubChem CID 130285247) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine
PubChem CID130285247
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine
SMILESCCCCCC(C)c1ccc(F)c(F)c1CCNCC
InChIInChI=1S/C17H27F2N/c1-4-6-7-8-13(3)14-9-10-16(18)17(19)15(14)11-12-20-5-2/h9-10,13,20H,4-8,11-12H2,1-3H3
InChIKeyUMIJAXWUBYSXPQ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81012969
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
CID 81018961
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
3-fluoro-5-octan-2-yl-1H-pyridin-4-one
CID 146507315
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine (CID 130285247) is 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine is CCCCCC(C)c1ccc(F)c(F)c1CCNCC.
What is the InChIKey of 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine?
The InChIKey is UMIJAXWUBYSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-4-6-7-8-13(3)14-9-10-16(18)17(19)15(14)11-12-20-5-2/h9-10,13,20H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine?
2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine is sourced from PubChem (CID 130285247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).