[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine

C13H18FNO — CID 118232521

IUPAC[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccc(C2(CN)CCOCC2)cc1F
InChIInChI=1S/C13H18FNO/c1-10-2-3-11(8-12(10)14)13(9-15)4-6-16-7-5-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyPSURZPTYDPKTTD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds2

About [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine

[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine (PubChem CID 118232521) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine
PubChem CID118232521
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccc(C2(CN)CCOCC2)cc1F
InChIInChI=1S/C13H18FNO/c1-10-2-3-11(8-12(10)14)13(9-15)4-6-16-7-5-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyPSURZPTYDPKTTD-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine (CID 118232521) is [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine is Cc1ccc(C2(CN)CCOCC2)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine?
The InChIKey is PSURZPTYDPKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-2-3-11(8-12(10)14)13(9-15)4-6-16-7-5-13/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine?
[4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 118232521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).