N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine

C15H22FNO2 — CID 126839477

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine
SMILESCc1cc(CNCCOC2CCCCO2)ccc1F
InChIInChI=1S/C15H22FNO2/c1-12-10-13(5-6-14(12)16)11-17-7-9-19-15-4-2-3-8-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3
InChIKeyALAAKHGPMBXHOR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.77
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine

N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine (PubChem CID 126839477) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine
PubChem CID126839477
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine
SMILESCc1cc(CNCCOC2CCCCO2)ccc1F
InChIInChI=1S/C15H22FNO2/c1-12-10-13(5-6-14(12)16)11-17-7-9-19-15-4-2-3-8-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3
InChIKeyALAAKHGPMBXHOR-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine (CID 126839477) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine is Cc1cc(CNCCOC2CCCCO2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine?
The InChIKey is ALAAKHGPMBXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12-10-13(5-6-14(12)16)11-17-7-9-19-15-4-2-3-8-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine is sourced from PubChem (CID 126839477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).