2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine

C15H15ClFNO — CID 82726931

IUPAC2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-13(16)14(17)9-12/h2-9,15,18H,10H2,1H3
InChIKeyUMVMBXZWPYCDQC-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine

2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine (PubChem CID 82726931) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
PubChem CID82726931
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-13(16)14(17)9-12/h2-9,15,18H,10H2,1H3
InChIKeyUMVMBXZWPYCDQC-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine (CID 82726931) is 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine is CNCC(Oc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine?
The InChIKey is UMVMBXZWPYCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-13(16)14(17)9-12/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine?
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 82726931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).