N-(2-fluoro-5-methylphenyl)oxan-4-amine

C12H16FNO — CID 43608597

IUPACN-(2-fluoro-5-methylphenyl)oxan-4-amine
SMILESCc1ccc(F)c(NC2CCOCC2)c1
InChIInChI=1S/C12H16FNO/c1-9-2-3-11(13)12(8-9)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyFDZHLJCVWWXGBK-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.73
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)oxan-4-amine

N-(2-fluoro-5-methylphenyl)oxan-4-amine (PubChem CID 43608597) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)oxan-4-amine
PubChem CID43608597
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(2-fluoro-5-methylphenyl)oxan-4-amine
SMILESCc1ccc(F)c(NC2CCOCC2)c1
InChIInChI=1S/C12H16FNO/c1-9-2-3-11(13)12(8-9)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyFDZHLJCVWWXGBK-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Morpholinophenyl)methylamine
CID 2795550
N-(propan-2-yl)-3-(trifluoromethyl)aniline
CID 14555378
3-methyl-N-(pentan-3-yl)aniline
CID 28422203
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788
(S)-1-(3-morpholinophenyl)ethanamine
CID 42551790
N-cyclohexyl-3-(trifluoromethyl)aniline
CID 28332353
N-((4-fluorophenyl)methyl)oxan-4-amine
CID 28958487
N-(3-fluorophenyl)oxan-4-amine
CID 43608420
N-(3-methylphenyl)piperidin-4-amine
CID 53534960
N-(3-methoxypropyl)-4-methylaniline
CID 57060896
N-((4-aminophenyl)methyl)oxan-4-amine
CID 115212399
(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine
CID 11438666

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)oxan-4-amine?
The IUPAC name of N-(2-fluoro-5-methylphenyl)oxan-4-amine (CID 43608597) is N-(2-fluoro-5-methylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)oxan-4-amine is Cc1ccc(F)c(NC2CCOCC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)oxan-4-amine?
The InChIKey is FDZHLJCVWWXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-2-3-11(13)12(8-9)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)oxan-4-amine?
N-(2-fluoro-5-methylphenyl)oxan-4-amine has a molecular weight of 209.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)oxan-4-amine is sourced from PubChem (CID 43608597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).