2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine

C16H19BrFNS — CID 62516078

IUPAC2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS/c1-2-19-11-13(10-15-7-8-16(17)20-15)9-12-3-5-14(18)6-4-12/h3-8,13,19H,2,9-11H2,1H3
InChIKeyYRCZFBPFRAJICE-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.66
Rot. Bonds7

About 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (PubChem CID 62516078) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
PubChem CID62516078
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS/c1-2-19-11-13(10-15-7-8-16(17)20-15)9-12-3-5-14(18)6-4-12/h3-8,13,19H,2,9-11H2,1H3
InChIKeyYRCZFBPFRAJICE-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (CID 62516078) is 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is YRCZFBPFRAJICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-2-19-11-13(10-15-7-8-16(17)20-15)9-12-3-5-14(18)6-4-12/h3-8,13,19H,2,9-11H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62516078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).