3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

C16H19BrFNOS — CID 79436792

IUPAC3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C16H19BrFNOS/c1-20-8-7-19-11-12(10-16-14(17)6-9-21-16)13-4-2-3-5-15(13)18/h2-6,9,12,19H,7-8,10-11H2,1H3
InChIKeyKNJDBBHZFBFUFS-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.21
Rot. Bonds8

About 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 79436792) has the molecular formula C16H19BrFNOS and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID79436792
Molecular FormulaC16H19BrFNOS
Molecular Weight372.30 g/mol
Exact Mass371.04
IUPAC Name3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C16H19BrFNOS/c1-20-8-7-19-11-12(10-16-14(17)6-9-21-16)13-4-2-3-5-15(13)18/h2-6,9,12,19H,7-8,10-11H2,1H3
InChIKeyKNJDBBHZFBFUFS-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79448483
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
4-(3-bromothiophen-2-yl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 80537070
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
2-(2-bromophenyl)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)propan-1-amine
CID 106930945

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (CID 79436792) is 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1sccc1Br)c1ccccc1F.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is KNJDBBHZFBFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNOS/c1-20-8-7-19-11-12(10-16-14(17)6-9-21-16)13-4-2-3-5-15(13)18/h2-6,9,12,19H,7-8,10-11H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 372.30 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 79436792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).