1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine

C16H17ClFNO — CID 102980563

IUPAC1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
SMILESCc1ccc(F)cc1OC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-14(18)9-15(10)20-16(11(2)19)12-4-3-5-13(17)8-12/h3-9,11,16H,19H2,1-2H3
InChIKeyQELUPHBFLFESOZ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.25
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine

1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine (PubChem CID 102980563) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
PubChem CID102980563
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
SMILESCc1ccc(F)cc1OC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-14(18)9-15(10)20-16(11(2)19)12-4-3-5-13(17)8-12/h3-9,11,16H,19H2,1-2H3
InChIKeyQELUPHBFLFESOZ-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 102980600
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine (CID 102980563) is 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine is Cc1ccc(F)cc1OC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
The InChIKey is QELUPHBFLFESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-6-7-14(18)9-15(10)20-16(11(2)19)12-4-3-5-13(17)8-12/h3-9,11,16H,19H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine is sourced from PubChem (CID 102980563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).