(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

C17H20FNO2 — CID 105035244

IUPAC(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc(C)ccc1F
InChIInChI=1S/C17H20FNO2/c1-12-7-8-15(18)14(11-12)17(19)13-5-3-4-6-16(13)21-10-9-20-2/h3-8,11,17H,9-10,19H2,1-2H3
InChIKeyVLZYBLSKBIPCPQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.21
Rot. Bonds6

About (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 105035244) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID105035244
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc(C)ccc1F
InChIInChI=1S/C17H20FNO2/c1-12-7-8-15(18)14(11-12)17(19)13-5-3-4-6-16(13)21-10-9-20-2/h3-8,11,17H,9-10,19H2,1-2H3
InChIKeyVLZYBLSKBIPCPQ-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.21
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

(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanamine
CID 104660123
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-fluoro-5-methylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 105143130
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63893443
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
[(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105260703
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (CID 105035244) is (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1cc(C)ccc1F.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is VLZYBLSKBIPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-7-8-15(18)14(11-12)17(19)13-5-3-4-6-16(13)21-10-9-20-2/h3-8,11,17H,9-10,19H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 105035244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).