N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine

C14H15BrFNS — CID 43287363

IUPACN-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyRUTPNTONGOPREN-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.82
Rot. Bonds5

About N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 43287363) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID43287363
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyRUTPNTONGOPREN-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
CID 42951112
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
2-Thenylamine, alpha-(m-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062016
N-Ethyl-2-(4-fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062020
2-Thenylamine, alpha-(p-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062022

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine (CID 43287363) is N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccc(F)cc2Br)s1.
What is the InChIKey of N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is RUTPNTONGOPREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43287363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).