3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine

C14H21F2NO — CID 107514261

IUPAC3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
SMILESCOCCNC(C)C(C)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H21F2NO/c1-9-5-6-12(14(16)13(9)15)10(2)11(3)17-7-8-18-4/h5-6,10-11,17H,7-8H2,1-4H3
InChIKeyAXOHVWANOLZHFO-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.00
Rot. Bonds6

About 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine

3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine (PubChem CID 107514261) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
PubChem CID107514261
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
SMILESCOCCNC(C)C(C)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H21F2NO/c1-9-5-6-12(14(16)13(9)15)10(2)11(3)17-7-8-18-4/h5-6,10-11,17H,7-8H2,1-4H3
InChIKeyAXOHVWANOLZHFO-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.00
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

1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 107516740
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114732971
N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
CID 114732970
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine (CID 107514261) is 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine is COCCNC(C)C(C)c1ccc(C)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is AXOHVWANOLZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-9-5-6-12(14(16)13(9)15)10(2)11(3)17-7-8-18-4/h5-6,10-11,17H,7-8H2,1-4H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine?
3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 107514261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).