1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine

C17H20FNO — CID 105373754

IUPAC1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-12-6-7-15(18)10-14(12)11-16(19)8-13-4-3-5-17(9-13)20-2/h3-7,9-10,16H,8,11,19H2,1-2H3
InChIKeyPZSZRPCPHKYKCL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.26
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine

1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 105373754) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
PubChem CID105373754
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-12-6-7-15(18)10-14(12)11-16(19)8-13-4-3-5-17(9-13)20-2/h3-7,9-10,16H,8,11,19H2,1-2H3
InChIKeyPZSZRPCPHKYKCL-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
2-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376013
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 82814680
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine (CID 105373754) is 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)Cc2cc(F)ccc2C)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is PZSZRPCPHKYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-6-7-15(18)10-14(12)11-16(19)8-13-4-3-5-17(9-13)20-2/h3-7,9-10,16H,8,11,19H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 105373754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).