2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline

C13H18FNO — CID 43403524

IUPAC2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCCCO2)c1
InChIInChI=1S/C13H18FNO/c1-10-5-6-12(14)13(8-10)15-9-11-4-2-3-7-16-11/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyKPYWQLWGWJTXAX-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.12
Rot. Bonds3

About 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline

2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 43403524) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID43403524
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCCCO2)c1
InChIInChI=1S/C13H18FNO/c1-10-5-6-12(14)13(8-10)15-9-11-4-2-3-7-16-11/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyKPYWQLWGWJTXAX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline (CID 43403524) is 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline is Cc1ccc(F)c(NCC2CCCCO2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is KPYWQLWGWJTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-5-6-12(14)13(8-10)15-9-11-4-2-3-7-16-11/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline?
2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 223.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43403524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).