1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride

C13H19ClFNO — CID 131637584

IUPAC1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(CC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO.ClH/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10;/h1-3,9-10,13H,4-8,15H2;1H
InChIKeyISPNQURDDBKCMI-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride

1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 131637584) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID131637584
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(CC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO.ClH/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10;/h1-3,9-10,13H,4-8,15H2;1H
InChIKeyISPNQURDDBKCMI-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
CID 115846820
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 79723580

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride (CID 131637584) is 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride is Cl.NC(CC1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is ISPNQURDDBKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10;/h1-3,9-10,13H,4-8,15H2;1H.
What are the key properties of 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 131637584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).