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

C14H15BrFNS — CID 115592294

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyOAWHLHGZCXJDHM-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.37
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 115592294) 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-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID115592294
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyOAWHLHGZCXJDHM-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
CID 78943406
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (CID 115592294) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is OAWHLHGZCXJDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 4.37, 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-2-amine is sourced from PubChem (CID 115592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).