2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine

C15H15ClFNO — CID 107168741

IUPAC2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OC(CN)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10-2-7-13(8-14(10)17)19-15(9-18)11-3-5-12(16)6-4-11/h2-8,15H,9,18H2,1H3
InChIKeyFFAGVYPDXVLBMW-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine

2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (PubChem CID 107168741) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
PubChem CID107168741
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OC(CN)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10-2-7-13(8-14(10)17)19-15(9-18)11-3-5-12(16)6-4-11/h2-8,15H,9,18H2,1H3
InChIKeyFFAGVYPDXVLBMW-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (CID 107168741) is 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine is Cc1ccc(OC(CN)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The InChIKey is FFAGVYPDXVLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-2-7-13(8-14(10)17)19-15(9-18)11-3-5-12(16)6-4-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine is sourced from PubChem (CID 107168741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).