2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride

C14H15ClFN — CID 25032833

IUPAC2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H14FN.ClH/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H
InChIKeyCTBNTJREAUZSOJ-UHFFFAOYSA-N
MW251.73 g/mol
LogP3.49
Rot. Bonds3

About 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride

2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride (PubChem CID 25032833) has the molecular formula C14H15ClFN and a molecular weight of 251.73 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
PubChem CID25032833
Molecular FormulaC14H15ClFN
Molecular Weight251.73 g/mol
Exact Mass251.09
IUPAC Name2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H14FN.ClH/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H
InChIKeyCTBNTJREAUZSOJ-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride (CID 25032833) is 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride is Cl.NC(Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride?
The InChIKey is CTBNTJREAUZSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN.ClH/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H.
What are the key properties of 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride?
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride has a molecular weight of 251.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 25032833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).