1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine

C15H22FNO2 — CID 55066001

IUPAC1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(17)15(13-3-2-4-14(16)9-13)19-10-12-5-7-18-8-6-12/h2-4,9,11-12,15H,5-8,10,17H2,1H3
InChIKeyHUOXFUQIICRFGU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine

1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine (PubChem CID 55066001) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
PubChem CID55066001
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(17)15(13-3-2-4-14(16)9-13)19-10-12-5-7-18-8-6-12/h2-4,9,11-12,15H,5-8,10,17H2,1H3
InChIKeyHUOXFUQIICRFGU-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
CID 62382577
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 107521307
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine (CID 55066001) is 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine is CC(N)C(OCC1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The InChIKey is HUOXFUQIICRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17)15(13-3-2-4-14(16)9-13)19-10-12-5-7-18-8-6-12/h2-4,9,11-12,15H,5-8,10,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine is sourced from PubChem (CID 55066001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).