1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine

C16H20BrNS — CID 43288036

IUPAC1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C16H20BrNS/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3
InChIKeyVHIAIBHUQYHPPD-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.63
Rot. Bonds6

About 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine

1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine (PubChem CID 43288036) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
PubChem CID43288036
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C16H20BrNS/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3
InChIKeyVHIAIBHUQYHPPD-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287985
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine (CID 43288036) is 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cccc(Br)c2)s1.
What is the InChIKey of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The InChIKey is VHIAIBHUQYHPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine?
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 43288036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).