N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine

C15H17BrFNS — CID 63414681

IUPACN-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H17BrFNS/c1-2-8-18-14(10-15-13(16)7-9-19-15)11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeyHIASYPZZUKILCW-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.93
Rot. Bonds6

About N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63414681) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID63414681
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H17BrFNS/c1-2-8-18-14(10-15-13(16)7-9-19-15)11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeyHIASYPZZUKILCW-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-[2-(3-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81277471
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139481
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115849084
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
CID 115849054

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine (CID 63414681) is N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is HIASYPZZUKILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-8-18-14(10-15-13(16)7-9-19-15)11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).