2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline

C12H18FNO — CID 14253957

IUPAC2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline
SMILESCCc1cc(F)cc(C)c1NCCOC
InChIInChI=1S/C12H18FNO/c1-4-10-8-11(13)7-9(2)12(10)14-5-6-15-3/h7-8,14H,4-6H2,1-3H3
InChIKeyHETVCLDUAOKUOX-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.75
Rot. Bonds5

About 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline

2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline (PubChem CID 14253957) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline
PubChem CID14253957
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline
SMILESCCc1cc(F)cc(C)c1NCCOC
InChIInChI=1S/C12H18FNO/c1-4-10-8-11(13)7-9(2)12(10)14-5-6-15-3/h7-8,14H,4-6H2,1-3H3
InChIKeyHETVCLDUAOKUOX-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103179366
3-(3,4-dimethylphenyl)-4-(2-methoxyethylamino)cyclobut-3-ene-1,2-dione
CID 22550551
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline?
The IUPAC name of 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline (CID 14253957) is 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline.
What is the SMILES notation for 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline?
The canonical SMILES for 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline is CCc1cc(F)cc(C)c1NCCOC.
What is the InChIKey of 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline?
The InChIKey is HETVCLDUAOKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-10-8-11(13)7-9(2)12(10)14-5-6-15-3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline?
2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline has a molecular weight of 211.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline is sourced from PubChem (CID 14253957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).