N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine

C11H14F3NO — CID 62965672

IUPACN-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
SMILESCOCCNCCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-16-7-6-15-5-4-8-2-3-9(12)11(14)10(8)13/h2-3,15H,4-7H2,1H3
InChIKeyVXFWIHBKHJKSDA-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.88
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine

N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 62965672) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
PubChem CID62965672
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
SMILESCOCCNCCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-16-7-6-15-5-4-8-2-3-9(12)11(14)10(8)13/h2-3,15H,4-7H2,1H3
InChIKeyVXFWIHBKHJKSDA-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
2-(4-bromo-3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106763363
2-(3-bromo-2,6-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106943435
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
N-[2-(6,7-difluoro-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81049785
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine (CID 62965672) is N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine is COCCNCCc1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is VXFWIHBKHJKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-16-7-6-15-5-4-8-2-3-9(12)11(14)10(8)13/h2-3,15H,4-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine?
N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 233.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 62965672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).