2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine

C15H21F2NO — CID 79347760

IUPAC2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(=Cc1c(F)cccc1F)C(C)C
InChIInChI=1S/C15H21F2NO/c1-11(2)12(10-18-7-8-19-3)9-13-14(16)5-4-6-15(13)17/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyBVBVRLZJRWMPLN-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.24
Rot. Bonds7

About 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine

2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 79347760) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID79347760
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(=Cc1c(F)cccc1F)C(C)C
InChIInChI=1S/C15H21F2NO/c1-11(2)12(10-18-7-8-19-3)9-13-14(16)5-4-6-15(13)17/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyBVBVRLZJRWMPLN-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.24
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

(2E)-2-[(3,5-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 106534568
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
N-(2-methoxyethyl)-3-methyl-2-[(3-nitrophenyl)methylidene]butan-1-amine
CID 79339304
N-(2-methoxyethyl)-3-methyl-2-[(2,4,5-trimethylphenyl)methylidene]butan-1-amine
CID 79347105
(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine
CID 107293125
2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
2-(1-benzothiophen-3-ylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339843
2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339795
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 79347760) is 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCC(=Cc1c(F)cccc1F)C(C)C.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is BVBVRLZJRWMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(2)12(10-18-7-8-19-3)9-13-14(16)5-4-6-15(13)17/h4-6,9,11,18H,7-8,10H2,1-3H3.
What are the key properties of 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 79347760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).