1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine

C16H17ClFNO — CID 107656348

IUPAC1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
SMILESCc1cccc(OC(c2ccc(Cl)cc2)C(C)N)c1F
InChIInChI=1S/C16H17ClFNO/c1-10-4-3-5-14(15(10)18)20-16(11(2)19)12-6-8-13(17)9-7-12/h3-9,11,16H,19H2,1-2H3
InChIKeyLAUHKOYBPVQKIT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine

1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine (PubChem CID 107656348) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
PubChem CID107656348
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
SMILESCc1cccc(OC(c2ccc(Cl)cc2)C(C)N)c1F
InChIInChI=1S/C16H17ClFNO/c1-10-4-3-5-14(15(10)18)20-16(11(2)19)12-6-8-13(17)9-7-12/h3-9,11,16H,19H2,1-2H3
InChIKeyLAUHKOYBPVQKIT-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-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372
4,4,4-trifluoro-3-(2-fluoro-3-methylphenoxy)butan-2-amine
CID 107656388
1-(4-chlorophenyl)-1-methoxypropan-2-amine
CID 54594037
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine
CID 107657103

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine (CID 107656348) is 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine is Cc1cccc(OC(c2ccc(Cl)cc2)C(C)N)c1F.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine?
The InChIKey is LAUHKOYBPVQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-3-5-14(15(10)18)20-16(11(2)19)12-6-8-13(17)9-7-12/h3-9,11,16H,19H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine?
1-(4-chlorophenyl)-1-(2-fluoro-3-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-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine is sourced from PubChem (CID 107656348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).