N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine

C14H15BrFNS — CID 112632402

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-13(11-5-3-4-6-12(11)16)17-9-10-7-8-14(15)18-10/h3-8,13,17H,2,9H2,1H3
InChIKeyUNGWADNANZKOFV-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.89
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 112632402) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID112632402
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-13(11-5-3-4-6-12(11)16)17-9-10-7-8-14(15)18-10/h3-8,13,17H,2,9H2,1H3
InChIKeyUNGWADNANZKOFV-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 60743964
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592294
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
CID 64917586
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine (CID 112632402) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine is CCC(NCc1ccc(Br)s1)c1ccccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is UNGWADNANZKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-13(11-5-3-4-6-12(11)16)17-9-10-7-8-14(15)18-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 112632402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).