1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine

C14H16FNOS — CID 62603614

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2cccs2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-5-4-10(8-13(14)15)7-11(16)9-12-3-2-6-18-12/h2-6,8,11H,7,9,16H2,1H3
InChIKeyXBIHAFOBFQYTAW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 62603614) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID62603614
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2cccs2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-5-4-10(8-13(14)15)7-11(16)9-12-3-2-6-18-12/h2-6,8,11H,7,9,16H2,1H3
InChIKeyXBIHAFOBFQYTAW-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
CID 63018350
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine (CID 62603614) is 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine is COc1ccc(CC(N)Cc2cccs2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is XBIHAFOBFQYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-17-14-5-4-10(8-13(14)15)7-11(16)9-12-3-2-6-18-12/h2-6,8,11H,7,9,16H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62603614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).