2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

C17H28FNO2 — CID 104794766

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C17H28FNO2/c1-13(2)17(3,12-19-9-10-20-4)11-14-7-6-8-15(21-5)16(14)18/h6-8,13,19H,9-12H2,1-5H3
InChIKeyJUSXLCCQJVJZCB-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.28
Rot. Bonds9

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (PubChem CID 104794766) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
PubChem CID104794766
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C17H28FNO2/c1-13(2)17(3,12-19-9-10-20-4)11-14-7-6-8-15(21-5)16(14)18/h6-8,13,19H,9-12H2,1-5H3
InChIKeyJUSXLCCQJVJZCB-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104794761
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641411
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (CID 104794766) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is COCCNCC(C)(Cc1cccc(OC)c1F)C(C)C.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is JUSXLCCQJVJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-13(2)17(3,12-19-9-10-20-4)11-14-7-6-8-15(21-5)16(14)18/h6-8,13,19H,9-12H2,1-5H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 104794766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).