2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine

C15H24FNO2 — CID 107443551

IUPAC2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
SMILESCOCCOc1ccccc1C(F)C(CN)C(C)C
InChIInChI=1S/C15H24FNO2/c1-11(2)13(10-17)15(16)12-6-4-5-7-14(12)19-9-8-18-3/h4-7,11,13,15H,8-10,17H2,1-3H3
InChIKeyJMLDDSIXRZJASN-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.95
Rot. Bonds8

About 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine

2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine (PubChem CID 107443551) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
PubChem CID107443551
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
SMILESCOCCOc1ccccc1C(F)C(CN)C(C)C
InChIInChI=1S/C15H24FNO2/c1-11(2)13(10-17)15(16)12-6-4-5-7-14(12)19-9-8-18-3/h4-7,11,13,15H,8-10,17H2,1-3H3
InChIKeyJMLDDSIXRZJASN-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.95
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

1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443570
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
CID 107443118
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
2-fluoro-2-(2-propoxyphenyl)ethanamine
CID 104663546

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine (CID 107443551) is 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine is COCCOc1ccccc1C(F)C(CN)C(C)C.
What is the InChIKey of 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine?
The InChIKey is JMLDDSIXRZJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(2)13(10-17)15(16)12-6-4-5-7-14(12)19-9-8-18-3/h4-7,11,13,15H,8-10,17H2,1-3H3.
What are the key properties of 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine?
2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).