1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride

C14H15ClFNO — CID 138991019

IUPAC1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
SMILESCl.NC(COc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO.ClH/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13;/h1-9,14H,10,16H2;1H
InChIKeyYDCGCMSLVXBAGB-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride

1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride (PubChem CID 138991019) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
PubChem CID138991019
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
SMILESCl.NC(COc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO.ClH/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13;/h1-9,14H,10,16H2;1H
InChIKeyYDCGCMSLVXBAGB-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride (CID 138991019) is 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride is Cl.NC(COc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride?
The InChIKey is YDCGCMSLVXBAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO.ClH/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13;/h1-9,14H,10,16H2;1H.
What are the key properties of 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride?
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride has a molecular weight of 267.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride is sourced from PubChem (CID 138991019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).